UCSF

ZINC03861463

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 20 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) -3.64 3.15 -73.76 0 6 2 74 268.276 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0860695A1; EP0860695A9; US3930951; US4342833 IBM Patent Data

Activity (Go SEA)

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