UCSF

ZINC22784096

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 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) 3.66 11.02 -53.85 3 8 1 84 475.617 9
Hi High (pH 8-9.5) 3.66 8.78 -22.69 2 8 0 82 474.609 9
Lo Low (pH 4.5-6) 3.66 11.01 -57.34 3 8 1 84 475.617 9

Activity (Go SEA)

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