UCSF

ZINC66609224

Substance Information

In ZINC since Heavy atoms Benign functionality
August 28th, 2011 26 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) 1.69 7.15 -10.73 0 6 0 54 349.438 2
Mid Mid (pH 6-8) 1.69 9.51 -51.81 1 6 1 55 350.446 2

Activity (Go SEA)

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