UCSF

ZINC43411611

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) 2.02 3.79 -41.74 3 4 1 49 281.42 8
Mid Mid (pH 6-8) 2.02 4.41 -32.74 3 4 1 46 281.42 8
Lo Low (pH 4.5-6) 2.02 5.78 -115.41 4 4 2 51 282.428 8

Activity (Go SEA)

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