UCSF

ZINC62077098

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2011 22 Yes

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) 2.70 7.38 -9.87 0 4 0 33 302.418 5
Lo Low (pH 4.5-6) 2.70 9.58 -45.97 1 4 1 34 303.426 5

Activity (Go SEA)

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