UCSF

ZINC59537539

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2011 13 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 0.17 -5.09 4 3 0 58 180.251 5
Lo Low (pH 4.5-6) 0.78 0.73 -37.4 5 3 1 63 181.259 5

Activity (Go SEA)

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