UCSF

ZINC09424933

Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 2007 36 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) 4.94 12.59 -48.53 0 7 -1 92 497.552 4
Mid Mid (pH 6-8) 5.39 11.15 -34.09 1 7 0 89 498.56 3
Mid Mid (pH 6-8) 4.36 -1.01 -24.51 0 7 0 85 498.56 4

Activity (Go SEA)

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