UCSF

ZINC34560664

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 26 No

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) 3.21 10.63 -8.74 0 4 0 47 377.481 7
Hi High (pH 8-9.5) 3.21 11.15 -48.28 0 4 -1 47 376.473 7

Activity (Go SEA)

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

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