UCSF

ZINC43894785

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 16 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) 3.62 7.99 -101.81 3 2 2 21 228.424 8
Mid Mid (pH 6-8) 3.62 6.83 -29 2 2 1 16 227.416 8

Activity (Go SEA)

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