UCSF

ZINC42608877

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 21 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) 2.61 5.76 -10.55 0 4 0 39 293.407 9
Mid Mid (pH 6-8) 2.61 8.17 -31.6 1 4 1 40 294.415 9

Activity (Go SEA)

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