UCSF

ZINC34676319

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 32 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) 0.72 5.53 -16.24 1 9 0 91 438.532 5
Mid Mid (pH 6-8) 0.72 7.88 -53.23 2 9 1 92 439.54 5

Activity (Go SEA)

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