UCSF

ZINC25503544

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 13 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) 2.08 3.75 -6.42 1 2 0 33 177.247 1
Lo Low (pH 4.5-6) 2.08 4.06 -29.65 2 2 1 34 178.255 1

Activity (Go SEA)

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