UCSF

ZINC52345533

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 16 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) 3.36 8.64 -109.55 3 2 2 21 228.424 6
Hi High (pH 8-9.5) 3.36 8.25 -27.73 2 2 1 16 227.416 6

Activity (Go SEA)

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