UCSF

ZINC43417390

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 18 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) 0.97 3.37 -48.5 3 4 1 51 258.43 9
Mid Mid (pH 6-8) 0.97 5.62 -31.33 3 4 1 51 258.43 9

Activity (Go SEA)

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