UCSF

ZINC19977469

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 19 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) 0.83 1.56 -41.55 3 5 1 58 264.349 4
Mid Mid (pH 6-8) 0.83 2.47 -44.54 3 5 1 55 264.349 4
Lo Low (pH 4.5-6) 0.83 3.86 -117.34 4 5 2 59 265.357 4

Activity (Go SEA)

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