UCSF

ZINC22577286

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2008 26 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 5.06 -47.42 2 7 1 68 358.418 5
Mid Mid (pH 6-8) 1.78 2.59 -10.95 1 7 0 67 357.41 5

Activity (Go SEA)

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