UCSF

ZINC19209021

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2008 27 No

Other Names:

MFCD02048182

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) 2.86 10.08 -72.43 1 5 0 65 364.445 6
Hi High (pH 8-9.5) 2.86 7.55 -60.73 0 5 -1 64 363.437 6
Lo Low (pH 4.5-6) 2.86 9.26 -48.63 2 5 1 62 365.453 6

Activity (Go SEA)

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

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