UCSF

ZINC43411394

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 17 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) 2.44 3.57 -37.24 3 3 1 40 243.415 5
Mid Mid (pH 6-8) 2.44 4.78 -31.07 3 3 1 37 243.415 5
Lo Low (pH 4.5-6) 2.44 5.7 -112.48 4 3 2 41 244.423 5

Activity (Go SEA)

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