UCSF

ZINC03805469

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 26 No

CAS Number: 160135-92-2

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) 0.92 -1.07 -68.81 1 6 -1 89 377.486 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP1051419A1; US5552397; US5646276; US5654294; US6140319; WO1999035145A1 IBM Patent Data

Activity (Go SEA)

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