UCSF

ZINC22562708

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2008 19 Yes

Download: MOL2 SDF SMILES Flexibase

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) -0.66 1.12 -44.41 3 5 1 59 267.349 5
Hi High (pH 8-9.5) -0.66 0.89 -5.76 2 5 0 57 266.341 5
Lo Low (pH 4.5-6) -0.66 3.1 -129.61 4 5 2 60 268.357 5

Activity (Go SEA)

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