UCSF

ZINC33713487

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 34 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) 5.61 12.41 -21.08 2 7 0 83 478.618 7
Mid Mid (pH 6-8) 5.61 12.81 -36.89 3 7 1 85 479.626 7

Activity (Go SEA)

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