UCSF

ZINC61702337

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2011 16 Yes

Other Names:

MFCD17248217

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) 0.65 4.93 -96.27 4 3 2 41 222.332 5
Hi High (pH 8-9.5) 0.65 2.6 -41.75 3 3 1 40 221.324 5

Activity (Go SEA)

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

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