UCSF

ZINC43913617

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.93 7.17 -114.72 3 3 2 30 256.434 5
Hi High (pH 8-9.5) 2.93 3.73 -1.33 1 3 0 24 254.418 5
Hi High (pH 8-9.5) 2.93 5.27 -35.37 2 3 1 29 255.426 5
Mid Mid (pH 6-8) 2.93 6.05 -29.73 2 3 1 26 255.426 5

Activity (Go SEA)

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