UCSF

ZINC06704925

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2006 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.71 11.89 -13.28 1 4 0 47 383.495 6
Lo Low (pH 4.5-6) 3.71 12.36 -44.51 2 4 1 48 384.503 6

Activity (Go SEA)

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