UCSF

ZINC00341453

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 16 Yes

Other Names:

MFCD00658357

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) 4.87 1.14 -4.53 0 1 0 9 253.128 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5262384; US5262387 IBM Patent Data

Activity (Go SEA)

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