UCSF

ZINC34624146

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 32 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) 9.01 19.65 -7.01 0 2 0 26 444.675 12

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0285617A1; EP0285617B1; EP0317587A1; EP0317587B1; US4886621; US5055224; US5344587; US5387369; US5876626; US5958290 IBM Patent Data

Activity (Go SEA)

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