UCSF

ZINC42904092

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 19 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) 3.84 7.76 -44.65 3 2 1 37 276.787 4
Hi High (pH 8-9.5) 3.84 7.12 -5.23 2 2 0 35 275.779 4

Activity (Go SEA)

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