UCSF

ZINC36161331

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 3.06 9.13 -45.73 2 4 1 50 306.455 4
Hi High (pH 8-9.5) 3.51 6.67 -42.56 1 4 0 53 305.447 4

Activity (Go SEA)

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