UCSF

ZINC37801752

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 17 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) -0.07 3.62 -41.11 3 4 1 61 234.323 5
Hi High (pH 8-9.5) -0.07 3.32 -7.48 2 4 0 59 233.315 5
Lo Low (pH 4.5-6) -0.07 4.09 -90.6 4 4 2 62 235.331 5

Activity (Go SEA)

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