UCSF

ZINC04632253

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2005 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) 2.46 0.47 -15.93 3 7 0 105 346.383 5
Mid Mid (pH 6-8) 2.46 1.22 -62.93 2 7 -1 108 345.375 5

Activity (Go SEA)

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