UCSF

ZINC34577433

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 30 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) 5.98 11.63 -48.39 0 5 -1 62 416.526 6
Mid Mid (pH 6-8) 5.52 13 -18.78 1 5 0 59 417.534 6

Activity (Go SEA)

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