UCSF

ZINC40239343

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2010 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 5.96 13.45 -10.66 0 2 0 18 310.4 4
Mid Mid (pH 6-8) 5.96 13.86 -25.22 1 2 1 19 311.408 4

Activity (Go SEA)

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