UCSF

ZINC06148859

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2006 31 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) 4.22 -2.39 -9.55 0 5 0 64 455.601 6
Mid Mid (pH 6-8) 4.40 -2.29 -10.17 0 5 0 64 455.601 6
Mid Mid (pH 6-8) 4.40 -0.96 -13.28 0 5 0 64 455.601 6
Mid Mid (pH 6-8) 4.22 -2.44 -11.79 0 5 0 64 455.601 6

Activity (Go SEA)

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