UCSF

ZINC44650083

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 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) -0.65 0.82 -48.17 3 6 1 69 257.358 6
Mid Mid (pH 6-8) -0.65 2.96 -103.95 4 6 2 70 258.366 6

Activity (Go SEA)

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