UCSF

ZINC34370714

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 24 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) 3.68 9.25 -6.3 0 4 0 37 330.424 12

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0242482A2; EP0242482B1; US4965270 IBM Patent Data

Activity (Go SEA)

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