UCSF

ZINC39912143

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 38 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) 5.81 12.58 -16.55 2 7 0 88 509.606 9
Hi High (pH 8-9.5) 5.58 13.13 -47.25 0 7 -1 87 508.598 9
Hi High (pH 8-9.5) 5.58 12.82 -59.45 0 7 -1 87 508.598 9
Hi High (pH 8-9.5) 5.81 13.7 -42.17 1 7 -1 91 508.598 9

Activity (Go SEA)

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