UCSF

ZINC02384991

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 23 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) -1.82 -7.01 -66.41 6 8 0 141 318.333 7

Vendor Notes

Note Type Comments Provided By
MP 102-104 °C Indofine
PUBCHEM_PATENT_ID EP0219237A1; EP0475160B1; US4865974; US4870017; US5013662; US5354675; US6165500 IBM Patent Data

Activity (Go SEA)

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