UCSF

ZINC39271409

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 14 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) 1.14 4 -11.26 1 4 0 63 209.226 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0639182A1; US4261996; US4695569; US4888426; US5025014; US5126339; WO1992018483A1 IBM Patent Data

Activity (Go SEA)

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