UCSF

ZINC04067206

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2005 34 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) 5.73 1 -11.37 0 6 0 74 461.558 8
Mid Mid (pH 6-8) 5.73 1.04 -13.65 0 6 0 74 461.558 8
Mid Mid (pH 6-8) 5.91 2.31 -12.82 0 6 0 74 461.558 8
Mid Mid (pH 6-8) 5.91 1.2 -11.74 0 6 0 74 461.558 8

Activity (Go SEA)

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