UCSF

ZINC03953158

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2005 21 Yes

CAS Numbers: [195875-84-4] , [402856-42-2]

Other Names:

MFCD18633271

NS-2330

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) 4.93 1.36 -41.44 1 2 1 13 329.291 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0885220A1; WO1997030997A1 IBM Patent Data

Activity (Go SEA)

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