UCSF

ZINC12402774

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 32 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 4.52 1.92 -10.51 0 6 0 82 455.507 6
Mid Mid (pH 6-8) 4.70 2.09 -11.02 0 6 0 82 455.507 6
Mid Mid (pH 6-8) 4.70 3.32 -19.44 0 6 0 82 455.507 6
Mid Mid (pH 6-8) 4.52 2.14 -12.41 0 6 0 82 455.507 6

Activity (Go SEA)

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