UCSF

ZINC34580663

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 12 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) 1.10 0.8 -6.59 2 3 0 41 165.192 1
Lo Low (pH 4.5-6) 1.10 1.39 -40.84 3 3 1 46 166.2 1

Activity (Go SEA)

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