UCSF

ZINC43423569

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 0.24 1.14 -48.65 3 5 1 58 265.381 3
Hi High (pH 8-9.5) 0.24 0.84 -6.47 2 5 0 56 264.373 3
Lo Low (pH 4.5-6) 0.24 2.88 -116.25 4 5 2 59 266.389 3

Activity (Go SEA)

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