UCSF

ZINC39912145

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 35 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) 5.65 11.1 -15.17 2 7 0 88 475.589 10
Hi High (pH 8-9.5) 5.42 11.65 -45.64 0 7 -1 87 474.581 10
Hi High (pH 8-9.5) 5.42 11.35 -57.42 0 7 -1 87 474.581 10
Hi High (pH 8-9.5) 5.65 12.23 -40.45 1 7 -1 91 474.581 10

Activity (Go SEA)

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