UCSF

ZINC62124662

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2011 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) 2.12 3.66 -56.65 2 7 -1 106 394.86 7
Lo Low (pH 4.5-6) 2.12 3.63 -19.83 3 7 0 104 395.868 7

Activity (Go SEA)

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