UCSF

ZINC43609359

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2010 26 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) 0.86 8.59 -43.93 1 6 1 55 352.462 3
Lo Low (pH 4.5-6) 0.86 8.72 -100.73 2 6 2 57 353.47 3
Lo Low (pH 4.5-6) 0.86 9.06 -85.88 2 6 2 57 353.47 3

Activity (Go SEA)

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