UCSF

ZINC19977666

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 16 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) -0.53 1.66 -44.89 3 5 1 66 226.3 2
Mid Mid (pH 6-8) -0.53 0.25 -5.49 2 5 0 61 225.292 2

Activity (Go SEA)

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