UCSF

ZINC59674904

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2011 31 Yes

Popular Name: PNU142633 PNU142633

Find On: PubMed — Wikipedia — Google

CAS Number: 187665-65-2

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) 1.75 6.32 -65.21 4 7 1 89 423.537 6 ↓
Mid Mid (pH 6-8) 1.75 4.1 -18.84 3 7 0 88 422.529 6 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0836599A1; WO1997002259A1; WO1999006024A1 IBM Patent Data

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.