UCSF

ZINC40417814

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 22 Yes

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) 3.43 11.48 -57.53 0 4 -1 58 291.33 4
Lo Low (pH 4.5-6) 3.43 11.89 -51.21 1 4 0 59 292.338 4

Activity (Go SEA)

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