UCSF

ZINC45107398

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2010 10 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) -0.52 -1.1 -31.91 3 3 1 40 147.242 5
Mid Mid (pH 6-8) -0.52 -0.55 -32.11 3 3 1 37 147.242 5
Lo Low (pH 4.5-6) -0.52 0.88 -104.38 4 3 2 41 148.25 5

Activity (Go SEA)

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