UCSF

ZINC19795736

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 23 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) 2.33 5.1 -47.86 3 4 1 43 312.437 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5340812; US5382583; US5420278; US5541326 IBM Patent Data

Activity (Go SEA)

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