UCSF

ZINC01701964

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 14 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) 1.61 4.34 -5.5 1 3 0 38 185.23 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4133956; USRE30563 IBM Patent Data

Activity (Go SEA)

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