UCSF

ZINC37979434

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 20 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) 0.88 0.86 -44.44 2 6 1 67 319.838 5
Mid Mid (pH 6-8) 0.88 0.74 -49.44 2 6 1 67 319.838 5
Mid Mid (pH 6-8) 0.88 -1.51 -9.89 1 6 0 66 318.83 5

Activity (Go SEA)

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