UCSF

ZINC04185287

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2005 18 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) 1.75 -0.59 -112.37 3 3 2 33 249.402 6
Lo Low (pH 4.5-6) 1.75 -0.48 -181.68 4 3 3 35 250.41 6

Activity (Go SEA)

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