UCSF

ZINC38271648

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 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) 3.68 4.6 -3.59 2 2 0 40 202.338 9

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0146053A2; EP0146053B1; US4629781 IBM Patent Data

Activity (Go SEA)

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