UCSF

ZINC54360198

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2010 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) 2.63 5.7 -10.67 0 5 0 36 365.905 6
Mid Mid (pH 6-8) 2.63 7.94 -38.58 1 5 1 37 366.913 6

Activity (Go SEA)

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