UCSF

ZINC87492957

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2013 26 Yes

Other Names:

MFCD00269934

N/A

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) 0.13 -1.03 -46.28 4 8 -1 127 448.677 3
Lo Low (pH 4.5-6) 0.13 -2.66 -11.13 5 8 0 124 449.685 3

Activity (Go SEA)

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

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