UCSF

ZINC42590042

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 16 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) 3.46 9.27 -3.5 0 2 0 16 240.778 5
Mid Mid (pH 6-8) 3.46 9.52 -28.18 1 2 1 17 241.786 5

Activity (Go SEA)

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