UCSF

ZINC27742677

Substance Information

In ZINC since Heavy atoms Benign functionality
February 20th, 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) 1.98 8.69 -46.78 2 3 1 40 272.416 7
Mid Mid (pH 6-8) 1.98 10.1 -131.3 3 3 2 45 273.424 7

Activity (Go SEA)

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