UCSF

ZINC35254162

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 28 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) 3.25 2.84 -47.31 1 7 -1 83 378.408 3
Mid Mid (pH 6-8) 2.79 3.49 -18.01 2 7 0 80 379.416 3
Mid Mid (pH 6-8) 3.25 5.15 -35.27 2 7 0 84 379.416 3

Activity (Go SEA)

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