UCSF

ZINC37795961

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 0.51 2.38 -50.61 2 7 -1 115 299.328 6
Hi High (pH 8-9.5) 0.51 2.44 -92.71 1 7 -2 117 298.32 6
Lo Low (pH 4.5-6) 0.51 0.4 -15.32 3 7 0 113 300.336 6

Activity (Go SEA)

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