UCSF

ZINC43285873

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 21 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) 2.18 3.76 -43.5 4 4 1 60 375.356 5
Hi High (pH 8-9.5) 2.18 3.45 -7.24 3 4 0 58 374.348 5
Lo Low (pH 4.5-6) 2.18 5.79 -126.98 5 4 2 61 376.364 5

Activity (Go SEA)

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