UCSF

ZINC29164349

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2009 20 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) 1.93 1.72 -21.69 3 6 0 91 358.217 4
Mid Mid (pH 6-8) 1.93 1.79 -55.18 2 6 -1 93 357.209 4

Activity (Go SEA)

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