UCSF

ZINC34362711

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 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) 3.97 12.17 -110.11 2 2 2 9 288.479 5
Hi High (pH 8-9.5) 3.97 11.57 -31.05 1 2 1 8 287.471 5
Hi High (pH 8-9.5) 3.97 10.05 -33.44 1 2 1 8 287.471 5

Activity (Go SEA)

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