UCSF

ZINC19960259

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 21 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) 2.89 7.92 -111.18 3 4 2 40 294.439 7
Mid Mid (pH 6-8) 2.89 7.39 -31.12 2 4 1 35 293.431 7

Activity (Go SEA)

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