UCSF

ZINC59669745

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2011 16 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) 2.65 7.03 -34.98 2 3 1 43 226.34 5
Mid Mid (pH 6-8) 2.65 5.92 -3.52 1 3 0 38 225.332 5

Activity (Go SEA)

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