UCSF

ZINC53161428

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 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) 3.25 9.33 -10.62 2 3 0 44 297.789 3
Mid Mid (pH 6-8) 3.25 9.73 -26.58 3 3 1 45 298.797 3

Activity (Go SEA)

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