UCSF

ZINC03920138

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2005 36 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) 1.73 5.01 -63.35 4 11 1 132 510.608 14
Hi High (pH 8-9.5) 1.73 3.66 -19.69 3 11 0 128 509.6 14

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO2000074651A1 IBM Patent Data

Activity (Go SEA)

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