UCSF

ZINC42442413

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 25 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) 2.12 4.8 -10.23 1 6 0 63 334.379 3
Lo Low (pH 4.5-6) 2.12 7.01 -44.56 2 6 1 64 335.387 3
Lo Low (pH 4.5-6) 2.12 5.58 -43.09 2 6 1 65 335.387 3

Activity (Go SEA)

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