UCSF

ZINC50724813

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2010 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) 2.17 3.74 -8.52 2 3 0 41 206.289 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0934264A1; WO1998012177A1 IBM Patent Data

Activity (Go SEA)

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