UCSF

ZINC38907782

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2010 33 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 3.51 10.78 -14.22 0 6 0 51 440.547 6
Mid Mid (pH 6-8) 3.51 12.98 -52.79 1 6 1 52 441.555 6
Mid Mid (pH 6-8) 3.51 12.82 -37.93 1 6 1 52 441.555 6
Lo Low (pH 4.5-6) 3.51 13.65 -128.08 2 6 2 53 442.563 6

Activity (Go SEA)

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