UCSF

ZINC43395113

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 2.66 4.61 -37.14 3 3 1 40 265.421 8
Hi High (pH 8-9.5) 2.65 3.47 -3.47 2 3 0 35 264.413 8
Mid Mid (pH 6-8) 2.66 5.55 -33.99 3 3 1 37 265.421 8
Lo Low (pH 4.5-6) 2.66 6.75 -113.15 4 3 2 41 266.429 8

Activity (Go SEA)

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