UCSF

ZINC43976938

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 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) 4.25 7.69 -99.4 3 3 2 30 286.504 8
Hi High (pH 8-9.5) 4.25 5.01 -0.67 1 3 0 24 284.488 8
Hi High (pH 8-9.5) 4.25 6.1 -32.72 2 3 1 29 285.496 8
Hi High (pH 8-9.5) 4.25 6.23 -25.74 2 3 1 26 285.496 8

Activity (Go SEA)

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