UCSF

ZINC37814830

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 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) -0.36 2.37 -11.24 1 5 0 53 299.318 5
Mid Mid (pH 6-8) -0.36 3.72 -45.43 2 5 1 57 300.326 5

Activity (Go SEA)

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