UCSF

ZINC08442275

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 40 No

Other Names:

MFCD03272539

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) 6.40 -11.57 -18.65 2 10 0 144 615.476 7
Hi High (pH 8-9.5) 6.40 -11.83 -84.11 0 10 -2 148 613.46 7
Hi High (pH 8-9.5) 6.40 -11.7 -47.13 1 10 -1 146 614.468 7

Activity (Go SEA)

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

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