UCSF

ZINC15786019

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2008 20 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) 2.41 7.18 -9.9 1 4 0 47 283.356 3
Lo Low (pH 4.5-6) 2.41 7.46 -43.9 2 4 1 48 284.364 3

Activity (Go SEA)

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