UCSF

ZINC39293076

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 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) 1.26 2.47 -43.02 3 4 1 54 274.34 1
Mid Mid (pH 6-8) 1.26 -0.03 -7 2 4 0 53 273.332 1

Activity (Go SEA)

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