UCSF

ZINC40079434

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 33 No

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) 4.92 8.24 -60.47 1 7 -1 99 517.396 9
Hi High (pH 8-9.5) 4.92 9.19 -117.39 0 7 -2 102 516.388 9
Lo Low (pH 4.5-6) 4.92 7.49 -17.51 2 7 0 96 518.404 9

Activity (Go SEA)

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