UCSF

ZINC43532543

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2010 39 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) 3.30 5.79 -57.76 6 9 1 133 537.681 5
Mid Mid (pH 6-8) 3.30 4.49 -10.14 5 9 0 129 536.673 5

Activity (Go SEA)

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