UCSF

ZINC20287645

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 25 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) 1.25 6.39 -39.42 2 6 1 57 367.539 7
Mid Mid (pH 6-8) 1.25 3.91 -6.74 1 6 0 56 366.531 7
Mid Mid (pH 6-8) 1.25 5.88 -41.11 2 6 1 57 367.539 7

Activity (Go SEA)

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