UCSF

ZINC05093593

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2006 26 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) 3.30 11.36 -16.54 0 6 0 62 352.369 4
Mid Mid (pH 6-8) 3.30 11.88 -34.55 1 6 1 63 353.377 4
Lo Low (pH 4.5-6) 3.30 11.22 -35.46 1 6 1 63 353.377 4

Activity (Go SEA)

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