UCSF

ZINC26894965

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2009 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) 2.64 4.89 -32.7 3 3 1 52 168.264 5
Mid Mid (pH 6-8) 2.79 4.2 -6.98 3 3 0 55 167.256 5
Mid Mid (pH 6-8) 2.79 4.25 -5.29 3 3 0 55 167.256 5
Lo Low (pH 4.5-6) 2.79 4.37 -27.58 4 3 1 56 168.264 5

Activity (Go SEA)

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