UCSF

ZINC41192352

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 18 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) 2.44 5.62 -35.78 2 3 1 39 267.418 4
Mid Mid (pH 6-8) 2.44 4.59 -5.37 1 3 0 34 266.41 4

Activity (Go SEA)

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