UCSF

ZINC22178311

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 16 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) 2.15 4.61 -45.78 3 2 1 31 239.408 3
Lo Low (pH 4.5-6) 2.15 6.49 -128.86 4 2 2 32 240.416 3

Activity (Go SEA)

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