UCSF

ZINC06714839

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2006 21 Yes

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) 1.06 5.83 -57.06 1 5 -1 82 287.339 4
Lo Low (pH 4.5-6) 1.06 6.11 -71.44 2 5 0 83 288.347 4

Activity (Go SEA)

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