UCSF

ZINC37792784

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 14 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) -0.72 4.29 -117.87 1 6 -2 109 199.162 5
Lo Low (pH 4.5-6) -0.72 1.35 -56.7 2 6 -1 107 200.17 5

Activity (Go SEA)

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