UCSF

ZINC43411625

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 1.52 3.43 -40.12 3 4 1 49 281.42 9
Mid Mid (pH 6-8) 1.52 4.25 -32.2 3 4 1 46 281.42 9
Lo Low (pH 4.5-6) 1.52 5.54 -112.64 4 4 2 51 282.428 9

Activity (Go SEA)

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