UCSF

ZINC25061449

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2009 24 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) 1.36 0.33 -24.45 3 7 0 123 368.436 6
Hi High (pH 8-9.5) 1.36 1.08 -93.37 1 7 -2 123 366.42 6
Hi High (pH 8-9.5) 1.36 1.01 -48.04 2 7 -1 121 367.428 6
Mid Mid (pH 6-8) 1.36 0.4 -55.64 2 7 -1 125 367.428 6

Activity (Go SEA)

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