UCSF

ZINC05024775

Substance Information

In ZINC since Heavy atoms Benign functionality
January 16th, 2006 25 No

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) 6.77 11.16 -8.84 1 3 0 45 348.471 3
Mid Mid (pH 6-8) 6.28 10.9 -45.64 0 3 -1 44 347.463 4

Activity (Go SEA)

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