UCSF

ZINC54128435

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2010 14 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) 1.77 5.48 -39.25 2 3 1 29 214.358 5
Hi High (pH 8-9.5) 1.77 3.21 -4.63 1 3 0 28 213.35 5
Lo Low (pH 4.5-6) 1.77 5.92 -84.83 3 3 2 31 215.366 5

Activity (Go SEA)

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