UCSF

ZINC42458972

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) -0.67 1.27 -45.33 3 5 1 59 253.322 6
Hi High (pH 8-9.5) -0.67 0.83 -5.72 2 5 0 57 252.314 6
Mid Mid (pH 6-8) -0.67 3.32 -130.96 4 5 2 60 254.33 6

Activity (Go SEA)

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