UCSF

ZINC40831696

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 20 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) 0.68 0.61 -55.41 5 6 1 103 300.404 8
Hi High (pH 8-9.5) 0.68 0.68 -77.31 4 6 0 105 299.396 8

Activity (Go SEA)

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