UCSF

ZINC65731351

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2011 23 No

Other Names:

MFCD22380601

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) 2.56 8.53 -52.34 0 5 -1 70 354.835 5
Lo Low (pH 4.5-6) 2.56 10.31 -57.76 1 5 0 71 355.843 5

Activity (Go SEA)

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

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