UCSF

ZINC22011215

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 15 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) -3.42 -5.48 -10.14 4 7 0 99 216.241 3
Lo Low (pH 4.5-6) -3.42 -3.14 -38.4 5 7 1 100 217.249 3

Activity (Go SEA)

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