UCSF

ZINC48818179

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2010 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) 5.21 9.6 -54.83 2 2 1 26 465.003 5
Hi High (pH 8-9.5) 5.21 8.25 -5.06 1 2 0 21 463.995 5

Activity (Go SEA)

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