UCSF

ZINC30581826

Substance Information

In ZINC since Heavy atoms Benign functionality
March 31st, 2009 25 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) 2.51 5.15 -16.71 2 7 0 89 352.375 2
Hi High (pH 8-9.5) 2.58 4.25 -46.92 1 7 -1 95 351.367 2

Activity (Go SEA)

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