UCSF

ZINC41291939

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 20 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) 1.36 6.12 -17.76 0 5 0 41 272.352 2
Mid Mid (pH 6-8) 1.36 8.47 -52.76 1 5 1 42 273.36 2
Mid Mid (pH 6-8) 1.36 6.41 -31.09 1 5 1 42 273.36 2
Lo Low (pH 4.5-6) 1.36 8.77 -83.52 2 5 2 43 274.368 2

Activity (Go SEA)

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