UCSF

ZINC22152137

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 21 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) 1.62 2.23 -11.46 3 5 0 68 295.358 3
Lo Low (pH 4.5-6) 1.62 4.08 -43.12 4 5 1 69 296.366 3

Activity (Go SEA)

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