UCSF

ZINC35773137

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 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) 2.99 7.84 -33.39 1 2 1 17 259.826 5
Mid Mid (pH 6-8) 2.99 5.88 -3.94 0 2 0 16 258.818 5

Activity (Go SEA)

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