UCSF

ZINC49575083

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 18 No

Download: MOL2 SDF SMILES Flexibase

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) 0.20 4.47 -40.12 2 5 1 54 254.354 5
Hi High (pH 8-9.5) 0.20 2.26 -6.62 1 5 0 53 253.346 5
Mid Mid (pH 6-8) 0.20 5.74 -127.14 3 5 2 58 255.362 5

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

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