UCSF

ZINC05921640

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 25 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) 3.24 5.88 -52.95 1 5 -1 78 356.785 5
Mid Mid (pH 6-8) 3.43 4.18 -28.15 2 5 0 84 357.793 5
Mid Mid (pH 6-8) 2.66 5.68 -21.63 1 5 0 72 357.793 5
Lo Low (pH 4.5-6) 3.24 5.12 -12.77 2 5 0 76 357.793 5

Activity (Go SEA)

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