UCSF

ZINC34559513

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 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) 2.39 4 -4.81 2 2 0 35 177.247 0
Lo Low (pH 4.5-6) 2.39 3.85 -45.89 3 2 1 37 178.255 0

Activity (Go SEA)

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