UCSF

ZINC43425439

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 13 No

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) -0.01 1.35 -8.56 2 3 0 38 200.307 2
Lo Low (pH 4.5-6) -0.01 3.01 -36.39 3 3 1 40 201.315 2

Activity (Go SEA)

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