UCSF

ZINC22116215

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 17 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) 3.58 4.34 -7.39 3 3 0 51 249.745 3
Lo Low (pH 4.5-6) 3.58 4.74 -23.19 4 3 1 52 250.753 3

Activity (Go SEA)

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