UCSF

ZINC62948865

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 17 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) 0.85 2.55 -32.15 3 4 1 46 240.371 2
Hi High (pH 8-9.5) 0.85 0.53 -7.2 2 4 0 44 239.363 2
Hi High (pH 8-9.5) 0.85 1.8 -36.74 3 4 1 49 240.371 2
Lo Low (pH 4.5-6) 0.85 3.82 -100.66 4 4 2 50 241.379 2

Activity (Go SEA)

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