UCSF

ZINC39912712

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) 5.22 10.13 -12.46 2 7 0 88 475.589 10
Hi High (pH 8-9.5) 4.99 10.9 -46.6 0 7 -1 87 474.581 10
Hi High (pH 8-9.5) 4.99 10.43 -54.51 0 7 -1 87 474.581 10
Hi High (pH 8-9.5) 5.22 10.96 -41.28 1 7 -1 91 474.581 10

Activity (Go SEA)

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