UCSF

ZINC35284900

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 18 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) 3.14 6.42 -7.68 1 3 0 54 258.66 0
Hi High (pH 8-9.5) 3.14 7.43 -45.58 0 3 -1 57 257.652 0

Activity (Go SEA)

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