UCSF

ZINC19785107

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 23 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) 2.78 4.19 -6.33 1 4 0 36 312.413 5
Mid Mid (pH 6-8) 2.78 6.52 -45.56 2 4 1 37 313.421 5

Activity (Go SEA)

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