UCSF

ZINC37803124

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) 0.63 4.08 -49.75 2 6 1 66 295.407 6
Mid Mid (pH 6-8) 0.63 6.28 -107.76 3 6 2 67 296.415 6

Activity (Go SEA)

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