UCSF

ZINC42588176

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 18 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) 2.32 7.6 -52.7 1 4 -1 69 252.334 5
Lo Low (pH 4.5-6) 2.32 5.46 -8.93 2 4 0 66 253.342 5

Activity (Go SEA)

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