UCSF

ZINC37008600

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 16 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) 1.30 2.17 -14.01 2 5 0 75 240.646 2
Mid Mid (pH 6-8) 1.76 -0.45 -48.73 1 5 -1 78 239.638 2

Activity (Go SEA)

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