UCSF

ZINC34405026

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 18 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) 1.57 6.32 -12.62 1 4 0 55 267.35 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5030652; US5190975 IBM Patent Data

Activity (Go SEA)

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