UCSF

ZINC43248076

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 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) 3.91 8.17 -41 3 2 1 31 283.505 8
Hi High (pH 8-9.5) 3.91 7.75 -27.15 3 2 1 30 283.505 8
Hi High (pH 8-9.5) 3.91 6.19 -0.99 2 2 0 29 282.497 8
Lo Low (pH 4.5-6) 3.91 8.07 -106.11 4 2 2 32 284.513 8

Activity (Go SEA)

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