UCSF

ZINC06786154

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2006 27 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) 3.72 8.76 -51.94 0 5 -1 70 405.257 6
Mid Mid (pH 6-8) 4.16 -0.27 -20.21 1 5 0 66 406.265 5
Mid Mid (pH 6-8) 3.13 -0.5 -12.38 0 5 0 63 406.265 6

Activity (Go SEA)

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