UCSF

ZINC08892300

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2007 31 No

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) 5.62 13.49 -48.6 0 4 -1 60 495.78 6
Mid Mid (pH 6-8) 5.04 12.87 -15.28 0 4 0 54 496.788 6
Mid Mid (pH 6-8) 6.07 11.89 -24.44 1 4 0 58 496.788 5

Activity (Go SEA)

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