UCSF

ZINC20533520

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 25 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) 4.25 9.83 -39.46 1 4 1 30 354.499 3
Mid Mid (pH 6-8) 4.25 7.55 -10.59 0 4 0 28 353.491 3
Mid Mid (pH 6-8) 4.25 9.72 -40.05 1 4 1 30 354.499 3

Activity (Go SEA)

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