UCSF

ZINC09370496

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 31 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) 1.54 5.03 -62.26 2 8 -1 119 443.863 7
Mid Mid (pH 6-8) 1.99 -4.27 -37.31 3 8 0 116 444.871 6
Mid Mid (pH 6-8) 0.96 -3.97 -32.78 2 8 0 113 444.871 7

Activity (Go SEA)

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