UCSF

ZINC04065104

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2005 35 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) 5.89 1.58 -13.23 0 6 0 74 475.585 9
Mid Mid (pH 6-8) 6.08 0.46 -13.02 0 6 0 74 475.585 9
Mid Mid (pH 6-8) 5.89 1.31 -14.6 0 6 0 74 475.585 9

Activity (Go SEA)

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