UCSF

ZINC43448405

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 15 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) -1.40 0.81 -58.48 2 5 1 71 237.345 7
Hi High (pH 8-9.5) -1.40 -0.53 -18.27 1 5 0 66 236.337 7

Activity (Go SEA)

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