UCSF

ZINC48302695

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2010 24 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) 1.73 5.21 -35.09 3 7 1 77 329.38 4
Mid Mid (pH 6-8) 1.73 4.77 -12.8 2 7 0 76 328.372 4

Activity (Go SEA)

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