UCSF

ZINC42680901

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 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) 1.64 8.33 -38.84 1 4 1 30 292.447 5
Mid Mid (pH 6-8) 1.64 8.5 -34.07 1 4 1 30 292.447 5
Lo Low (pH 4.5-6) 1.64 10.75 -99.93 2 4 2 31 293.455 5

Activity (Go SEA)

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