UCSF

ZINC59269035

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2011 11 Yes

Other Names:

MFCD12964054

NA

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.75 3.88 -11.63 0 3 0 31 212.05 0
Lo Low (pH 4.5-6) -1.99 4.22 -26.54 1 3 1 33 213.058 0

Activity (Go SEA)

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

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