UCSF

ZINC05155039

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 15 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) 3.48 2.9 -38.07 0 3 -1 49 237.226 3
Mid Mid (pH 6-8) 3.48 -0.3 -9.46 1 3 0 46 238.234 3

Activity (Go SEA)

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