UCSF

ZINC52294184

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 10 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) 0.88 3.75 -109.05 4 2 2 33 144.262 5
Hi High (pH 8-9.5) 0.88 2.39 -33.77 3 2 1 29 143.254 5

Activity (Go SEA)

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