UCSF

ZINC22804995

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 31 No

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) -0.07 2.5 -50.67 4 9 1 119 450.516 8
Hi High (pH 8-9.5) -0.07 0.27 -24.43 3 9 0 118 449.508 8
Lo Low (pH 4.5-6) -0.07 2.52 -49.58 4 9 1 119 450.516 8

Activity (Go SEA)

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