UCSF

ZINC00000246

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 21 Yes

CAS Number: 3565-72-8

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) 4.14 2.13 -36.69 1 2 1 13 349.292 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0727981A1; EP0727981B1; EP0941077A1; EP1030659A1; US5843413; WO1998000168A1; WO1998001134A1; WO2000048636A1 IBM Patent Data

Activity (Go SEA)

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