UCSF

ZINC19874384

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 24 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) 1.61 9.83 -38.13 1 5 1 47 336.362 4
Mid Mid (pH 6-8) 1.61 7.45 -3.78 0 5 0 46 335.354 4
Mid Mid (pH 6-8) 1.61 7.86 -36.56 1 5 1 47 336.362 4

Activity (Go SEA)

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