UCSF

ZINC63737417

Substance Information

In ZINC since Heavy atoms Benign functionality
June 5th, 2011 17 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) 1.81 6.62 -87.67 3 4 2 38 245.411 9
Hi High (pH 8-9.5) 1.81 4.58 -37.87 2 4 1 37 244.403 9

Activity (Go SEA)

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