UCSF

ZINC03958182

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2005 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) 3.99 0.53 -4.74 1 1 0 15 199.297 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4111850 IBM Patent Data

Activity (Go SEA)

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