UCSF

ZINC25147427

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 27 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) 1.07 2.54 -22.39 3 7 0 112 399.35 5
Hi High (pH 8-9.5) 1.98 1.48 -48.7 2 7 -1 115 398.342 5

Activity (Go SEA)

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