UCSF

ZINC22157063

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 19 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) 1.78 2.47 -51.57 2 6 -1 102 279.297 4
Hi High (pH 8-9.5) 1.78 2.54 -101.74 1 6 -2 104 278.289 4

Activity (Go SEA)

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