UCSF

ZINC22921559

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 35 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) 2.68 11.93 -51.61 2 8 1 75 473.601 7
Hi High (pH 8-9.5) 2.68 9.7 -22.13 1 8 0 74 472.593 7
Hi High (pH 8-9.5) 2.68 11.92 -56.64 2 8 1 75 473.601 7

Activity (Go SEA)

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