UCSF

ZINC19910978

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 23 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) 0.96 3.56 -47.25 2 7 -1 120 350.353 1
Hi High (pH 8-9.5) 1.41 2.3 -158.97 0 7 -3 125 348.337 1
Mid Mid (pH 6-8) 1.41 1.54 -101.59 1 7 -2 123 349.345 1

Activity (Go SEA)

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