UCSF

ZINC41043334

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2010 16 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) 1.04 3.98 -36.44 2 4 1 46 229.344 5
Mid Mid (pH 6-8) 1.04 2.75 -7.46 1 4 0 42 228.336 5

Activity (Go SEA)

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