UCSF

ZINC13136082

Substance Information

In ZINC since Heavy atoms Benign functionality
May 30th, 2008 33 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) 4.51 12.4 -18.22 1 6 0 65 443.547 9
Lo Low (pH 4.5-6) 4.51 12.77 -43.11 2 6 1 67 444.555 9

Activity (Go SEA)

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