UCSF

ZINC39642425

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2010 11 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) 0.78 4.01 -38.23 2 2 1 29 151.233 3
Lo Low (pH 4.5-6) 0.78 4.34 -92.9 3 2 2 31 152.241 3

Activity (Go SEA)

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