UCSF

ZINC61409495

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2011 20 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) -0.30 3.17 -55.21 3 6 1 79 275.332 3
Hi High (pH 8-9.5) -0.30 1.85 -9.37 2 6 0 74 274.324 3
Lo Low (pH 4.5-6) -0.30 3.53 -89.2 4 6 2 80 276.34 3

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.