UCSF

ZINC34362915

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 30 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 5.94 13.02 -7.96 0 3 0 22 440.008 6
Mid Mid (pH 6-8) 5.94 14.45 -50.19 1 3 1 23 441.016 6

Activity (Go SEA)

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