UCSF

ZINC06382859

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2006 29 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) 1.94 7.66 -59.41 0 9 -1 129 397.363 6
Mid Mid (pH 6-8) 2.39 -0.51 -33.36 1 9 0 125 398.371 5
Mid Mid (pH 6-8) 1.36 -0.28 -21.85 0 9 0 122 398.371 6

Activity (Go SEA)

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