UCSF

ZINC37034249

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 3.84 5.69 -48.14 3 3 1 46 341.2 4
Mid Mid (pH 6-8) 3.84 5.37 -5.06 2 3 0 44 340.192 4

Activity (Go SEA)

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