UCSF

ZINC42744601

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 18 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) 2.41 6.71 -109.64 4 3 2 35 259.482 10
Hi High (pH 8-9.5) 2.41 7.73 -100 4 3 2 35 259.482 10
Hi High (pH 8-9.5) 2.41 4.26 -44.57 3 3 1 34 258.474 10
Lo Low (pH 4.5-6) 2.41 7.88 -225.86 5 3 3 37 260.49 10

Activity (Go SEA)

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