UCSF

ZINC42470618

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 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) 1.09 5.5 -34.77 2 4 1 46 241.355 4
Hi High (pH 8-9.5) 1.09 4 -10.14 1 4 0 42 240.347 4

Activity (Go SEA)

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