UCSF

ZINC05643719

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2006 28 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) 2.88 5.39 -15.98 3 8 0 113 380.404 6
Ref Reference (pH 7) 2.88 5.27 -20.53 3 8 0 113 380.404 6
Hi High (pH 8-9.5) 2.88 6.4 -60.39 2 8 -1 116 379.396 6

Activity (Go SEA)

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