UCSF

ZINC09389224

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 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) 3.38 6.69 -18.33 2 5 0 76 285.299 5
Hi High (pH 8-9.5) 3.38 7.72 -54.14 1 5 -1 78 284.291 5

Activity (Go SEA)

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