UCSF

ZINC39848073

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 31 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) 2.92 11.09 -81.06 1 7 0 87 426.513 10
Lo Low (pH 4.5-6) 2.92 10.34 -52.79 2 7 1 84 427.521 10

Activity (Go SEA)

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