UCSF

ZINC39869944

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 30 No

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) 3.74 8.84 -201.72 0 9 -3 146 420.382 4
Lo Low (pH 4.5-6) 3.74 9.25 -124.03 1 9 -2 144 421.39 4

Activity (Go SEA)

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