UCSF

ZINC37110586

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 2.58 6.7 -23.55 2 4 1 43 274.388 5
Mid Mid (pH 6-8) 2.58 7.12 -9.2 1 4 0 41 273.38 5

Activity (Go SEA)

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