UCSF

ZINC34338889

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 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) -0.59 1.15 -92.42 4 3 2 33 145.25 2
Mid Mid (pH 6-8) -0.59 -0.18 -31.25 3 3 1 28 144.242 2
Mid Mid (pH 6-8) -0.59 -1.46 -37.43 3 3 1 32 144.242 2

Activity (Go SEA)

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