UCSF

ZINC37984841

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 19 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) 3.68 5.76 -47.06 3 3 1 46 351.33 9
Mid Mid (pH 6-8) 3.68 4.4 -5.1 2 3 0 41 350.322 9

Activity (Go SEA)

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