UCSF

ZINC43907755

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 20 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) 2.84 6.08 -32.35 2 3 1 20 280.48 3
Mid Mid (pH 6-8) 2.84 8.27 -101.23 3 3 2 21 281.488 3
Mid Mid (pH 6-8) 2.84 7.63 -85.75 3 3 2 24 281.488 3
Lo Low (pH 4.5-6) 2.84 9.54 -201.56 4 3 3 25 282.496 3

Activity (Go SEA)

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