UCSF

ZINC34830224

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 35 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) 3.09 12.36 -14.77 0 7 0 70 497.661 9
Mid Mid (pH 6-8) 3.09 13.99 -51.35 1 7 1 71 498.669 9

Activity (Go SEA)

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