UCSF

ZINC22239130

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2008 29 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) 4.14 4.95 -41.23 1 7 -1 104 454.673 4
Mid Mid (pH 6-8) 4.14 5.75 -98.51 0 7 -2 107 453.665 4
Lo Low (pH 4.5-6) 3.68 6.72 -12.73 2 7 0 101 455.681 4

Activity (Go SEA)

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