UCSF

ZINC51020270

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 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) -0.55 -0.1 -94.75 5 4 2 56 217.357 7
Mid Mid (pH 6-8) -0.55 -2.37 -44.34 4 4 1 54 216.349 7

Activity (Go SEA)

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