UCSF

ZINC38985544

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2010 24 No

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) 0.38 4.05 -58.92 3 7 1 78 337.375 4
Hi High (pH 8-9.5) 0.38 2.74 -18.86 2 7 0 74 336.367 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5547950; WO1993023384A1 IBM Patent Data

Activity (Go SEA)

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