UCSF

ZINC65529789

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 22 Yes

Other Names:

MFCD01071954

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) 2.42 11.7 -92.02 3 5 2 47 301.438 6
Hi High (pH 8-9.5) 2.42 9.19 -6.1 1 5 0 44 299.422 6
Hi High (pH 8-9.5) 2.42 11.79 -32.53 2 5 1 45 300.43 6

Activity (Go SEA)

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

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