UCSF

ZINC42492739

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) 0.52 -0.01 -36.46 3 4 1 49 219.349 9
Mid Mid (pH 6-8) 0.52 2.81 -40.86 3 4 1 53 219.349 9

Activity (Go SEA)

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