UCSF

ZINC12419919

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2008 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) 1.65 2.01 -5.44 1 4 0 42 257.374 5
Mid Mid (pH 6-8) 1.65 4.32 -37.51 2 4 1 43 258.382 5

Activity (Go SEA)

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