UCSF

ZINC42458894

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) 0.21 3.96 -36.73 3 3 1 40 249.378 4
Mid Mid (pH 6-8) 0.21 3.87 -3.49 2 3 0 38 248.37 4
Mid Mid (pH 6-8) 0.21 5.86 -118.42 4 3 2 41 250.386 4

Activity (Go SEA)

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