UCSF

ZINC09972686

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2007 35 Yes

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) 5.46 12.3 -139.44 0 7 -2 116 468.461 6
Mid Mid (pH 6-8) 5.46 10.38 -21.27 2 7 0 110 470.477 6
Mid Mid (pH 6-8) 5.46 11.7 -60.54 1 7 -1 113 469.469 6

Activity (Go SEA)

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