UCSF

ZINC15573714

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2008 18 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) 0.93 5.76 -38.45 3 4 1 51 248.35 5
Hi High (pH 8-9.5) 0.93 3.78 -8.42 2 4 0 50 247.342 5

Activity (Go SEA)

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