UCSF

ZINC07987946

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2006 28 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) 3.48 -7.31 -16.6 2 7 0 105 417.512 7
Hi High (pH 8-9.5) 3.48 -6.73 -48.72 1 7 -1 107 416.504 7
Hi High (pH 8-9.5) 3.48 -6.75 -46.9 1 7 -1 107 416.504 7
Hi High (pH 8-9.5) 3.48 -6.17 -99.19 0 7 -2 109 415.496 7

Activity (Go SEA)

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