UCSF

ZINC05229243

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2006 23 No

CAS Number: [2137-18-0]

Other Names:

MFCD03695613

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) 2.62 0.02 -9.64 1 3 0 54 316.441 1

Activity (Go SEA)

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

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