UCSF

ZINC45261444

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2010 15 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) 1.00 3.99 -48.49 0 3 -1 52 200.217 2
Mid Mid (pH 6-8) 1.63 4.63 -22.91 2 3 0 53 201.225 2

Activity (Go SEA)

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

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