UCSF

ZINC42775012

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 17 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) 2.88 7.44 -30.68 1 3 1 31 276.809 7
Mid Mid (pH 6-8) 2.88 5.44 -4.35 0 3 0 30 275.801 7

Activity (Go SEA)

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