UCSF

ZINC52860927

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 21 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) 1.00 4.32 -17.04 4 7 0 113 320.765 3
Hi High (pH 8-9.5) 1.00 3.84 -40.04 3 7 -1 111 319.757 3

Activity (Go SEA)

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

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