UCSF

ZINC37204438

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 17 No

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) 3.62 6.33 -6.69 1 2 0 37 260.387 1
Mid Mid (pH 6-8) 4.48 6.01 -10.36 2 2 0 39 260.387 1

Activity (Go SEA)

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