UCSF

ZINC20998364

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 24 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) 1.59 6.13 -81.39 3 5 2 42 337.508 9
Mid Mid (pH 6-8) 1.59 6.1 -85.4 3 5 2 42 337.508 9
Mid Mid (pH 6-8) 1.59 3.76 -40.9 2 5 1 40 336.5 9

Activity (Go SEA)

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