UCSF

ZINC09071804

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2007 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) 4.54 11.63 -46.48 2 6 1 71 437.56 10
Mid Mid (pH 6-8) 3.51 12.27 -45.82 1 6 1 68 437.56 11

Activity (Go SEA)

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