UCSF

ZINC36873236

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 16 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) -0.78 -1.87 -44.28 4 5 1 71 230.332 5
Hi High (pH 8-9.5) -0.78 -2.22 -8.96 3 5 0 70 229.324 5
Lo Low (pH 4.5-6) -0.78 0.43 -96.88 5 5 2 73 231.34 5

Activity (Go SEA)

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