UCSF

ZINC13531684

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 14 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) 1.71 5.54 -45.61 4 3 1 56 196.318 8
Mid Mid (pH 6-8) 1.71 6.01 -81.05 5 3 2 58 197.326 8
Mid Mid (pH 6-8) 1.71 5.51 -45.9 4 3 1 56 196.318 8

Activity (Go SEA)

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