UCSF

ZINC33347582

Substance Information

In ZINC since Heavy atoms Benign functionality
May 31st, 2009 30 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) 5.88 11.35 -11.52 1 5 0 64 416.502 6
Ref Reference (pH 7) 5.39 10.83 -44.88 0 5 -1 63 415.494 7

Activity (Go SEA)

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