UCSF

ZINC08530332

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2006 18 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) 2.37 4.68 -13.2 3 5 0 69 262.338 5
Hi High (pH 8-9.5) 2.83 2.86 -45.8 2 5 -1 72 261.33 5

Activity (Go SEA)

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