UCSF

ZINC00173752

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 17 No

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) 4.08 0.47 -15.26 0 1 0 13 238.311 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4757124; USRE28698 IBM Patent Data

Activity (Go SEA)

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