UCSF

ZINC51482060

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.29 7.37 -26.94 2 3 1 29 256.373 5
Hi High (pH 8-9.5) 3.29 7.75 -5.48 1 3 0 28 255.365 5
Mid Mid (pH 6-8) 3.29 9.13 -35.74 2 3 1 33 256.373 5
Lo Low (pH 4.5-6) 3.29 8.74 -106 3 3 2 34 257.381 5

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

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