UCSF

ZINC20550425

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 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) 1.75 3.33 -47.01 2 5 1 63 304.823 5
Hi High (pH 8-9.5) 1.75 2.93 -36.45 1 5 0 66 303.815 5
Hi High (pH 8-9.5) 1.75 1 -9.76 1 5 0 62 303.815 5

Activity (Go SEA)

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