UCSF

ZINC37039585

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 16 Yes

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) -0.73 2.01 -93.11 4 4 2 48 222.336 4
Mid Mid (pH 6-8) -0.73 0.48 -81.76 4 4 2 48 222.336 4
Mid Mid (pH 6-8) -0.73 -0.24 -45.63 3 4 1 47 221.328 4
Lo Low (pH 4.5-6) -0.73 2.74 -176.64 5 4 3 49 223.344 4

Activity (Go SEA)

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