UCSF

ZINC43416349

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 1.16 6.52 -9.14 2 4 0 66 218.304 5
Mid Mid (pH 6-8) 1.16 6.7 -35.54 3 4 1 67 219.312 5

Activity (Go SEA)

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