UCSF

ZINC43454783

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 15 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) 3.18 7.65 -41.46 2 3 1 43 216.345 10
Mid Mid (pH 6-8) 3.18 6.3 -4.47 1 3 0 38 215.337 10

Activity (Go SEA)

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