UCSF

ZINC49569625

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 14 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) 0.93 5 -83.4 3 3 2 30 213.35 2
Hi High (pH 8-9.5) 0.93 2.28 -25.97 2 3 1 29 212.342 1
Hi High (pH 8-9.5) 0.93 2.43 -27.12 2 3 1 29 212.342 2

Activity (Go SEA)

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

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