UCSF

ZINC58534484

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2011 46 No

Popular Name: (2R)-2-acetamido-6-[[(Z)-[(7aR)-5-[(2S)-2,3-dihydroxypropyl]-3-[(1Z,4E,6E,8E,10S)-1-hydroxy-10-methy (2R)-2-acetamido-6-[[(Z)-[(7aR)-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.73 11.09 -141.23 4 12 -2 205 638.714 18 ↓
Mid Mid (pH 6-8) 0.19 9.43 -191.08 3 12 -3 212 637.706 18 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z103205-1-O A431 (cluster #1 Of 4), Other Other 4480 0.16 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z103205 Z103205 A431 4480 0.16 Functional ≤ 10μM

Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.