UCSF

ZINC25444491

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 30 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) 3.64 6.43 -22.21 2 8 0 110 466.972 8
Hi High (pH 8-9.5) 3.70 5.59 -98.38 0 8 -2 119 464.956 8
Mid Mid (pH 6-8) 3.70 5.52 -53.53 1 8 -1 117 465.964 8
Mid Mid (pH 6-8) 3.64 6.5 -41.64 1 8 -1 112 465.964 8

Activity (Go SEA)

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