UCSF

ZINC42252398

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 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) 2.33 6.8 -29.34 1 4 1 40 232.344 10
Mid Mid (pH 6-8) 2.33 5.33 -4.43 0 4 0 39 231.336 10

Activity (Go SEA)

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