UCSF

ZINC08730323

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 15 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) 4.12 -0.48 -4.46 2 2 0 35 227.735 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0035671A1; US4329283; US4431585 IBM Patent Data

Activity (Go SEA)

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