UCSF

ZINC44693998

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 16 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) 0.53 3.2 -34.03 2 4 1 35 229.344 7
Lo Low (pH 4.5-6) 0.53 4.13 -104.96 3 4 2 40 230.352 7

Activity (Go SEA)

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