UCSF

ZINC36298933

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 18 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) 0.41 -1.47 -55.02 5 6 1 107 294.422 6
Mid Mid (pH 6-8) 0.87 -3.8 -69.32 4 6 0 110 293.414 6

Activity (Go SEA)

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