UCSF

ZINC07812249

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2006 23 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) 3.43 9.08 -50.28 2 5 1 60 388.257 6
Hi High (pH 8-9.5) 3.43 6.88 -10.69 1 5 0 59 387.249 6
Hi High (pH 8-9.5) 3.24 5.9 -41.51 0 5 -1 65 386.241 6

Activity (Go SEA)

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