UCSF

ZINC19962868

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 19 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) 6.11 7.52 -47.95 2 2 1 26 294.362 9
Hi High (pH 8-9.5) 6.11 6.1 -3.65 1 2 0 21 293.354 9

Activity (Go SEA)

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