UCSF

ZINC42453605

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 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) -1.44 1.5 -56.37 3 6 1 77 244.315 5
Mid Mid (pH 6-8) -1.44 0.2 -12.57 2 6 0 73 243.307 5

Activity (Go SEA)

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