UCSF

ZINC05376779

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 23 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) 5.72 9.47 -7.85 1 3 0 45 336.441 2
Hi High (pH 8-9.5) 6.18 7.7 -43.97 0 3 -1 48 335.433 2
Hi High (pH 8-9.5) 6.18 8.38 -42.64 0 3 -1 48 335.433 2

Activity (Go SEA)

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