UCSF

ZINC23283091

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 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) 3.36 7.44 -37.66 1 3 1 11 308.877 3
Hi High (pH 8-9.5) 3.36 7.45 -35.52 1 3 1 11 308.877 3
Lo Low (pH 4.5-6) 3.36 11.36 -98.43 2 3 2 12 309.885 3

Activity (Go SEA)

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