UCSF

ZINC02380555

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 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) 2.89 1.74 -32.54 1 1 1 4 190.31 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0031885A1; US4376123; US4508732; US4780478 IBM Patent Data

Activity (Go SEA)

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