UCSF

ZINC26142416

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 25 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) 1.50 4.45 -18.03 1 6 0 66 361.829 5
Mid Mid (pH 6-8) 1.50 6.77 -58.39 2 6 1 67 362.837 5

Activity (Go SEA)

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