UCSF

ZINC25445378

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) 3.40 6.11 -22.93 2 8 0 110 446.554 8
Hi High (pH 8-9.5) 3.40 6.18 -49.96 1 8 -1 112 445.546 8
Hi High (pH 8-9.5) 3.47 5.29 -93.93 0 8 -2 119 444.538 8
Mid Mid (pH 6-8) 3.47 5.22 -49.68 1 8 -1 117 445.546 8

Activity (Go SEA)

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