UCSF

ZINC05330607

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2006 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) 1.52 4.01 -9.8 0 3 0 60 143.149 0
Lo Low (pH 4.5-6) 1.52 4.24 -39.04 1 3 1 62 144.157 0

Activity (Go SEA)

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