UCSF

ZINC05370003

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 22 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) 2.17 8.52 -50.68 2 7 1 92 305.358 5
Hi High (pH 8-9.5) 2.17 6.36 -22.39 1 7 0 91 304.35 5

Activity (Go SEA)

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