UCSF

ZINC07056603

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 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) 2.91 0.69 -8.65 1 5 0 68 349.231 4
Hi High (pH 8-9.5) 2.91 0.77 -35.73 0 5 -1 70 348.223 4
Lo Low (pH 4.5-6) 2.91 1.41 -37.51 2 5 1 70 350.239 4

Activity (Go SEA)

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