UCSF

ZINC42774629

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 2.23 1.98 -11.63 2 4 0 61 277.242 6
Hi High (pH 8-9.5) 2.23 2.99 -54.81 1 4 -1 64 276.234 6
Lo Low (pH 4.5-6) 2.23 3.5 -48.96 3 4 1 62 278.25 6

Activity (Go SEA)

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