UCSF

ZINC43894261

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 16 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) 1.24 6.74 -106.15 3 3 2 34 221.348 4
Hi High (pH 8-9.5) 1.24 4.58 -3.21 1 3 0 28 219.332 4
Hi High (pH 8-9.5) 1.24 5.05 -28.76 2 3 1 33 220.34 4
Mid Mid (pH 6-8) 1.24 6.22 -30.2 2 3 1 29 220.34 4
Lo Low (pH 4.5-6) 1.24 5.78 -89.15 3 3 2 34 221.348 4

Activity (Go SEA)

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