UCSF

ZINC40524751

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 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) -1.72 6.05 -43.36 1 6 0 68 259.331 1
Mid Mid (pH 6-8) -1.72 3.7 -40.01 0 6 -1 67 258.323 1

Activity (Go SEA)

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