UCSF

ZINC05612584

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 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) 3.50 5.88 -11.65 2 5 0 74 358.195 2
Hi High (pH 8-9.5) 3.95 3.82 -52.57 1 5 -1 77 357.187 2
Hi High (pH 8-9.5) 3.95 4.12 -43.7 1 5 -1 77 357.187 2

Activity (Go SEA)

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