UCSF

ZINC70007890

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2011 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) -0.15 2.58 -29.02 2 5 1 50 226.3 4
Hi High (pH 8-9.5) -0.15 2 -10.15 1 5 0 48 225.292 4
Lo Low (pH 4.5-6) -0.15 3.21 -38.69 2 5 1 53 226.3 4

Activity (Go SEA)

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

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