UCSF

ZINC37050296

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) -0.54 3.79 -82.33 4 6 2 69 293.415 6
Hi High (pH 8-9.5) -0.54 3.47 -49.23 3 6 1 67 292.407 6
Mid Mid (pH 6-8) -0.54 5.96 -159.76 5 6 3 70 294.423 6
Mid Mid (pH 6-8) -0.54 5.65 -96.39 4 6 2 69 293.415 6

Activity (Go SEA)

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