UCSF

ZINC34477157

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 10 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) 1.41 0.1 -37.05 5 2 1 54 143.254 0
Lo Low (pH 4.5-6) 1.41 0.3 -116.93 6 2 2 55 144.262 0

Activity (Go SEA)

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