UCSF

ZINC43977759

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 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) 1.78 4.14 -35.02 2 4 1 38 271.425 8
Hi High (pH 8-9.5) 1.78 3.66 -1.68 1 4 0 34 270.417 8
Mid Mid (pH 6-8) 1.78 5.02 -26.77 2 4 1 35 271.425 8

Activity (Go SEA)

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