UCSF

ZINC37038120

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) -1.42 -0.36 -93.69 6 5 2 78 230.356 6
Hi High (pH 8-9.5) -1.42 -2.36 -47.99 5 5 1 77 229.348 6

Activity (Go SEA)

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