UCSF

ZINC19725908

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 20 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) 1.68 7.16 -94.01 3 4 2 34 279.428 5
Hi High (pH 8-9.5) 1.68 5.12 -42.28 2 4 1 32 278.42 5
Hi High (pH 8-9.5) 1.68 5.74 -32.83 2 4 1 29 278.42 5

Activity (Go SEA)

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