UCSF

ZINC51254870

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2010 15 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) 0.39 2.55 -104.15 5 3 2 52 214.353 4
Hi High (pH 8-9.5) 0.39 2.25 -30.17 4 3 1 51 213.345 4

Activity (Go SEA)

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