UCSF

ZINC28104957

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2009 27 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) 5.78 12.6 -79.06 3 4 2 40 373.585 13
Mid Mid (pH 6-8) 5.78 12.12 -39.58 2 4 1 39 372.577 13

Activity (Go SEA)

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