UCSF

ZINC57007376

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2011 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 1.60 4.06 -14.29 2 6 0 99 343.408 6
Hi High (pH 8-9.5) 1.60 3.87 -42.41 1 6 -1 101 342.4 6

Activity (Go SEA)

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