UCSF

ZINC43470278

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 14 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) -0.62 3.15 -44.25 3 3 1 45 208.207 4
Mid Mid (pH 6-8) -0.62 2.82 -6.4 2 3 0 44 207.199 4

Activity (Go SEA)

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