UCSF

ZINC06420382

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2006 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) 3.31 8.39 -46.51 1 6 -1 90 414.437 6
Mid Mid (pH 6-8) 3.31 7.97 -13.91 2 6 0 87 415.445 6
Mid Mid (pH 6-8) 2.72 8.63 -22.5 1 6 0 84 415.445 6

Activity (Go SEA)

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