UCSF

ZINC19949553

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 19 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) 3.24 5.35 -6.1 1 3 0 30 277.389 7
Mid Mid (pH 6-8) 3.24 6.78 -46.92 2 3 1 35 278.397 7

Activity (Go SEA)

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