UCSF

ZINC42460730

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) 0.79 -0.09 -10.25 1 6 0 79 292.382 2
Mid Mid (pH 6-8) 1.25 -2.37 -42.38 0 6 -1 83 291.374 2

Activity (Go SEA)

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