UCSF

ZINC00337388

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 15 No

Other Names:

MFCD04971447

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) 1.72 6.34 -45.8 0 6 -1 91 211.197 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0517225A1 IBM Patent Data

Activity (Go SEA)

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