UCSF

ZINC37051890

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 18 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) 0.68 5.49 -36.14 2 4 1 44 250.366 3
Hi High (pH 8-9.5) 0.68 4.75 -6.44 1 4 0 39 249.358 3

Activity (Go SEA)

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