UCSF

ZINC42450518

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 15 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) 0.56 -0.24 -40.37 3 4 1 49 217.333 5
Hi High (pH 8-9.5) 0.56 -1.69 -3.26 2 4 0 45 216.325 5
Mid Mid (pH 6-8) 0.56 1.65 -101.43 4 4 2 51 218.341 5

Activity (Go SEA)

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