UCSF

ZINC19814245

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 19 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) -0.57 4.83 -53.71 2 5 1 74 277.373 5
Mid Mid (pH 6-8) -0.57 3.53 -14.62 1 5 0 69 276.365 5
Lo Low (pH 4.5-6) -0.57 5.27 -104.5 3 5 2 75 278.381 5

Activity (Go SEA)

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