UCSF

ZINC01791790

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2005 29 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 1.44 0.92 -21.11 6 11 0 164 419.829 5
Lo Low (pH 4.5-6) 1.61 -10.11 -54.61 7 11 1 168 420.837 4
Lo Low (pH 4.5-6) 1.61 -10.23 -48.01 7 11 1 168 420.837 4

Activity (Go SEA)

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