UCSF

ZINC15838226

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2008 11 No

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) 0.79 4.53 -7.43 0 2 0 30 147.177 2
Lo Low (pH 4.5-6) 0.79 4.81 -39.91 1 2 1 31 148.185 2

Activity (Go SEA)

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