UCSF

ZINC59417331

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2011 21 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) 1.64 2.46 -7.63 2 6 0 88 289.335 5
Hi High (pH 8-9.5) 1.50 -0.1 -36.9 1 6 -1 94 288.327 5
Hi High (pH 8-9.5) 0.94 -0.05 -36.51 1 6 -1 94 288.327 5
Lo Low (pH 4.5-6) 1.64 2.92 -37.53 3 6 1 89 290.343 5

Activity (Go SEA)

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

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