UCSF

ZINC37228726

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 20 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) 2.41 9.3 -110.46 3 3 2 30 341.293 4
Mid Mid (pH 6-8) 2.41 8.33 -34.02 2 3 1 26 340.285 4

Activity (Go SEA)

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