UCSF

ZINC06688728

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2006 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) 1.38 7.07 -41.9 2 4 1 44 264.324 7
Mid Mid (pH 6-8) 1.38 7.54 -109.3 3 4 2 45 265.332 7

Activity (Go SEA)

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