UCSF

ZINC38039788

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2009 15 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) 1.15 2.99 -5.44 2 3 0 38 214.215 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0717738A1; EP0717738B1; US5688792; US5880118; WO1995007271A1 IBM Patent Data

Activity (Go SEA)

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