UCSF

ZINC34536836

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 21 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) 3.36 4.54 -14.39 1 5 0 65 288.299 5
Hi High (pH 8-9.5) 3.36 5.55 -64.64 0 5 -1 68 287.291 5

Activity (Go SEA)

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