UCSF

ZINC15841919

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2008 23 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) 3.95 10.37 -18.87 0 3 0 33 306.34 1
Lo Low (pH 4.5-6) 3.95 10.67 -27.75 1 3 1 34 307.348 1

Activity (Go SEA)

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