UCSF

ZINC15841854

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2008 24 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) 3.87 9.61 -22.29 0 4 0 42 318.376 2
Lo Low (pH 4.5-6) 3.87 9.91 -30.69 1 4 1 44 319.384 2

Activity (Go SEA)

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