UCSF

ZINC34601661

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 22 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) 1.96 5.87 -5.03 3 5 0 81 306.406 9
Mid Mid (pH 6-8) 1.96 6.32 -42.74 4 5 1 83 307.414 9

Activity (Go SEA)

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