UCSF

ZINC12402784

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 33 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) 5.17 1.36 -10.48 0 6 0 82 506.407 6
Mid Mid (pH 6-8) 5.35 1.52 -10.64 0 6 0 82 506.407 6
Mid Mid (pH 6-8) 5.35 2.59 -11.06 0 6 0 82 506.407 6
Mid Mid (pH 6-8) 5.17 1.41 -12.06 0 6 0 82 506.407 6

Activity (Go SEA)

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