UCSF

ZINC35469790

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 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) 5.54 10.79 -7.93 1 3 0 41 297.427 3
Lo Low (pH 4.5-6) 4.61 10.63 -8.09 1 3 0 37 297.427 4
Lo Low (pH 4.5-6) 4.61 10.97 -25.98 2 3 1 39 298.435 4

Activity (Go SEA)

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