UCSF

ZINC43393673

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) 3.93 8.09 -38.74 2 2 1 20 275.46 4
Hi High (pH 8-9.5) 3.93 9.02 -30.5 2 2 1 16 275.46 4
Lo Low (pH 4.5-6) 3.93 10.22 -105.65 3 2 2 21 276.468 4

Activity (Go SEA)

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