UCSF

ZINC00000039

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 24 Yes

CAS Number: 75748-50-4

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) 2.42 -2.45 -46.93 4 6 1 88 333.408 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0248879A1; WO1987003583A1 IBM Patent Data

Activity (Go SEA)

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