UCSF

ZINC61703948

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2011 32 Yes

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) 3.99 11.47 -44.7 1 6 1 59 445.568 5
Hi High (pH 8-9.5) 3.99 11.13 -16.41 0 6 0 58 444.56 5

Activity (Go SEA)

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

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