UCSF

ZINC12956288

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2008 12 Yes

CAS Number: 32996-24-0

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) 3.65 6.45 -4.67 1 1 0 16 159.232 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0993458A1; WO1998057953A1 IBM Patent Data
PUBCHEM_PATENT_ID EP0993458A1; WO2000037456A1 IBM Patent Data

Activity (Go SEA)

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