UCSF

ZINC49686716

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 12 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) 0.33 1.81 -44.05 4 2 1 40 185.316 4
Mid Mid (pH 6-8) 0.33 2.8 -37.98 4 2 1 43 185.316 4
Mid Mid (pH 6-8) 0.33 3.17 -122.25 5 2 2 44 186.324 4

Activity (Go SEA)

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