UCSF

ZINC43408563

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 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) 3.54 8.99 -30.42 3 3 1 43 290.456 4
Mid Mid (pH 6-8) 3.54 8.56 -9.06 2 3 0 42 289.448 4

Activity (Go SEA)

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