UCSF

ZINC39911617

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) 4.61 8.71 -18.11 2 8 0 97 479.577 10
Hi High (pH 8-9.5) 4.38 9.27 -48.54 0 8 -1 96 478.569 10
Hi High (pH 8-9.5) 4.38 8.98 -60.89 0 8 -1 96 478.569 10
Hi High (pH 8-9.5) 4.61 9.84 -43.03 1 8 -1 100 478.569 10

Activity (Go SEA)

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