UCSF

ZINC06148766

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2006 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) 4.80 11.39 -12.14 0 6 0 74 467.587 7
Mid Mid (pH 6-8) 4.99 11.15 -13.41 0 6 0 74 467.587 7
Mid Mid (pH 6-8) 4.99 12.02 -19.23 0 6 0 74 467.587 7
Mid Mid (pH 6-8) 4.80 11.35 -15.68 0 6 0 74 467.587 7

Activity (Go SEA)

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