UCSF

ZINC37824045

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) 0.57 5.13 -81.21 3 5 2 45 286.464 7
Hi High (pH 8-9.5) 0.57 4.02 -36.95 2 5 1 40 285.456 7
Hi High (pH 8-9.5) 0.57 3.95 -38.14 2 5 1 40 285.456 7
Lo Low (pH 4.5-6) 0.57 7.6 -164.86 4 5 3 46 287.472 7
Lo Low (pH 4.5-6) 0.57 5.2 -89.68 3 5 2 45 286.464 7

Activity (Go SEA)

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