UCSF

ZINC33836396

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 16 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) 3.10 8.76 -47.57 0 2 -1 40 221.251 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0272580A2; EP0272580B1; US5230826; US5302317 IBM Patent Data

Activity (Go SEA)

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