UCSF

ZINC19834348

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 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) 0.55 4.87 -9.24 0 3 0 40 167.237 3
Lo Low (pH 4.5-6) 0.55 5.3 -36.19 1 3 1 41 168.245 3

Activity (Go SEA)

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