UCSF

ZINC39912356

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 36 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) 5.04 10.83 -16.31 2 7 0 88 483.568 6
Hi High (pH 8-9.5) 4.81 11.15 -58.27 0 7 -1 87 482.56 6
Hi High (pH 8-9.5) 4.81 11.15 -53.77 0 7 -1 87 482.56 6
Hi High (pH 8-9.5) 5.04 11.86 -45.48 1 7 -1 91 482.56 6

Activity (Go SEA)

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