UCSF

ZINC13400991

Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 15 Yes

Other Names:

MFCD05670468

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) 1.51 4.17 -52.46 0 5 -1 74 225.249 2
Ref Reference (pH 7) 1.51 4.76 -57.79 0 5 -1 74 225.249 2
Lo Low (pH 4.5-6) 1.51 2.19 -13.32 1 5 0 72 226.257 2
Lo Low (pH 4.5-6) 1.51 2.77 -13.7 1 5 0 72 226.257 2

Activity (Go SEA)

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

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