UCSF

ZINC43609355

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2010 35 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) 4.14 14.18 -15.63 0 5 0 54 471.576 5
Lo Low (pH 4.5-6) 4.14 14.65 -47.05 1 5 1 55 472.584 5

Activity (Go SEA)

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