UCSF

ZINC44518001

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 17 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) 1.25 8.65 -171.98 4 3 3 25 242.431 6
Mid Mid (pH 6-8) 1.25 6.2 -95.67 3 3 2 24 241.423 6
Mid Mid (pH 6-8) 1.25 7.43 -74.4 3 3 2 21 241.423 6

Activity (Go SEA)

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