UCSF

ZINC40175819

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 18 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) 2.68 7.31 -13.24 1 5 0 68 265.7 5
Hi High (pH 8-9.5) 2.68 6.94 -46.24 0 5 -1 66 264.692 5

Activity (Go SEA)

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