UCSF

ZINC03947467

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2005 25 No

CAS Numbers: 5508-58-7 , [5508-58-7]

Other Names:

MFCD00017610

MFCD07778082

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) 1.05 -3.97 -11.17 3 5 0 86 350.455 3

Activity (Go SEA)

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