UCSF

ZINC37824050

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.11 5.93 -81.15 3 5 2 45 300.491 8
Hi High (pH 8-9.5) 1.11 4.99 -36.7 2 5 1 40 299.483 8
Hi High (pH 8-9.5) 1.11 4.91 -37.78 2 5 1 40 299.483 8
Lo Low (pH 4.5-6) 1.11 8.4 -165.22 4 5 3 46 301.499 8
Lo Low (pH 4.5-6) 1.11 6 -89.81 3 5 2 45 300.491 8

Activity (Go SEA)

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