UCSF

ZINC08771945

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2007 20 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) 1.41 1.17 -48.5 1 6 -1 87 274.3 5
Lo Low (pH 4.5-6) 1.41 0.44 -13.61 2 6 0 84 275.308 5

Activity (Go SEA)

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