UCSF

ZINC42455564

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 13 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) -0.21 3.36 -51.57 3 4 1 57 181.263 4
Mid Mid (pH 6-8) -0.21 3.86 -92.41 4 4 2 58 182.271 4

Activity (Go SEA)

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