UCSF

ZINC43897464

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 2.91 8.85 -88.14 3 3 2 24 291.483 6
Hi High (pH 8-9.5) 2.91 7.15 -34.7 2 3 1 20 290.475 6
Hi High (pH 8-9.5) 2.91 7.33 -33.36 2 3 1 20 290.475 6
Mid Mid (pH 6-8) 2.91 9.76 -100.04 3 3 2 21 291.483 6
Lo Low (pH 4.5-6) 2.91 10.72 -209.94 4 3 3 25 292.491 6

Activity (Go SEA)

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