UCSF

ZINC29484524

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2009 19 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) -1.14 -2.37 -42.52 6 7 1 118 271.341 7
Hi High (pH 8-9.5) -1.14 -3.73 -11.8 5 7 0 113 270.333 7

Activity (Go SEA)

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