UCSF

ZINC31425427

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2009 16 Yes

CAS Number: [7303-50-6]

Other Names:

MFCD00037930

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) 0.59 1.34 -83.96 6 5 0 110 219.244 3
Hi High (pH 8-9.5) 0.59 1.1 -51.47 5 5 -1 108 218.236 3

Activity (Go SEA)

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

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