UCSF

ZINC43894274

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 19 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) 2.75 8.4 -113.19 3 3 2 34 263.429 4
Hi High (pH 8-9.5) 2.75 8.03 -28.81 2 3 1 29 262.421 4
Lo Low (pH 4.5-6) 2.75 6.92 -94.69 3 3 2 34 263.429 4

Activity (Go SEA)

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