UCSF

ZINC52860937

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 14 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 2.37 -40.45 2 3 1 33 192.286 2
Hi High (pH 8-9.5) -0.15 1.01 -4.36 1 3 0 28 191.278 2
Lo Low (pH 4.5-6) -0.15 2.81 -83.57 3 3 2 34 193.294 2

Activity (Go SEA)

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

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