UCSF

ZINC37976780

Substance Information

In ZINC since Heavy atoms Benign functionality
December 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) 1.62 9.35 -39.79 2 4 1 34 285.415 5
Mid Mid (pH 6-8) 1.62 8.81 -88.78 3 4 2 39 286.423 5
Lo Low (pH 4.5-6) 1.62 9.86 -72.68 3 4 2 36 286.423 5
Lo Low (pH 4.5-6) 1.62 10.54 -118.23 3 4 2 39 286.423 5
Lo Low (pH 4.5-6) 1.62 11.05 -164.58 4 4 3 40 287.431 5

Activity (Go SEA)

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