UCSF

ZINC06452917

Substance Information

In ZINC since Heavy atoms Benign functionality
March 29th, 2006 11 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) -0.19 -0.57 -39.87 0 5 -1 75 147.117 0
Mid Mid (pH 6-8) -0.64 0.53 -18.52 1 5 0 72 148.125 0

Activity (Go SEA)

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