UCSF

ZINC05330408

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2006 17 Yes

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) 3.98 2.31 -3.86 0 1 0 3 225.335 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0199467A1; US4975491; US5081191 IBM Patent Data

Activity (Go SEA)

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