UCSF

ZINC06582578

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2006 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 4.48 10.44 -35.02 2 2 1 29 287.386 2
Hi High (pH 8-9.5) 4.48 9.84 -14.5 1 2 0 25 286.378 2
Lo Low (pH 4.5-6) 4.48 10.86 -102.96 3 2 2 31 288.394 2
Lo Low (pH 4.5-6) 4.48 10.89 -103.58 3 2 2 31 288.394 2

Activity (Go SEA)

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