UCSF

ZINC39309088

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 34 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) 4.52 15.3 -88.96 2 7 2 66 501.414 8
Mid Mid (pH 6-8) 4.52 14.78 -50.35 1 7 1 65 500.406 8
Mid Mid (pH 6-8) 4.52 14.79 -39.87 1 7 1 65 500.406 8
Mid Mid (pH 6-8) 4.52 14.27 -13.77 0 7 0 63 499.398 8

Activity (Go SEA)

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