UCSF

ZINC35553241

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 29 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) 4.61 12.03 -41.19 1 5 1 37 416.659 6
Hi High (pH 8-9.5) 4.61 9.54 -5.9 0 5 0 35 415.651 6
Lo Low (pH 4.5-6) 4.61 14.23 -123.7 2 5 2 38 417.667 6

Activity (Go SEA)

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