UCSF

ZINC17382139

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 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) 4.73 11.33 -13.53 0 4 0 34 315.376 2
Lo Low (pH 4.5-6) 4.73 11.77 -23.82 1 4 1 35 316.384 2

Activity (Go SEA)

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