UCSF

ZINC41671580

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 21 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) 3.34 7.66 -11.22 3 4 0 60 279.343 5
Lo Low (pH 4.5-6) 3.34 8.03 -26.37 4 4 1 61 280.351 5

Activity (Go SEA)

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