UCSF

ZINC34622021

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 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) 3.72 6.18 -2.43 1 1 0 12 173.259 0
Lo Low (pH 4.5-6) 3.72 6.6 -31.89 2 1 1 17 174.267 0

Activity (Go SEA)

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