UCSF

ZINC28838305

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2009 27 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) 2.71 5.25 -42.6 1 7 -1 104 363.328 3
Mid Mid (pH 6-8) 2.71 5.27 -26.19 2 7 0 105 364.336 3
Mid Mid (pH 6-8) 2.71 4.11 -25.74 2 7 0 101 364.336 3

Activity (Go SEA)

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