UCSF

ZINC33904297

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 34 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) 4.13 9.84 -29.05 4 11 1 142 466.57 7
Hi High (pH 8-9.5) 4.13 7.62 -8.98 3 11 0 140 465.562 7

Activity (Go SEA)

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