UCSF

ZINC05729255

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2006 18 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) -1.73 3.86 -35.87 3 6 0 98 244.254 2
Mid Mid (pH 6-8) -1.73 4.31 -89.28 4 6 1 100 245.262 2
Lo Low (pH 4.5-6) -1.73 4.12 -85.12 4 6 1 100 245.262 2
Lo Low (pH 4.5-6) -1.73 4.59 -147.78 5 6 2 101 246.27 2

Activity (Go SEA)

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