UCSF

ZINC37039491

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 17 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) -0.01 4.99 -159.32 5 4 3 49 237.371 5
Mid Mid (pH 6-8) -0.01 2.78 -80.07 4 4 2 48 236.363 5

Activity (Go SEA)

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