UCSF

ZINC32126185

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.86 7.65 -75.37 3 4 2 30 281.444 10
Hi High (pH 8-9.5) 1.86 4.15 -42.22 2 4 1 32 280.436 10
Hi High (pH 8-9.5) 1.86 5.12 -35.87 2 4 1 29 280.436 10
Mid Mid (pH 6-8) 1.86 6.73 -88.35 3 4 2 34 281.444 10

Activity (Go SEA)

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