UCSF

ZINC05034736

Substance Information

In ZINC since Heavy atoms Benign functionality
January 17th, 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) 2.77 3.35 -37.2 1 8 -1 124 322.684 4
Mid Mid (pH 6-8) 2.31 5.02 -15.24 2 8 0 121 323.692 4
Mid Mid (pH 6-8) 2.77 2.42 -51.95 1 8 -1 124 322.684 4

Activity (Go SEA)

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