UCSF

ZINC43904126

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 21 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) 4.11 10.97 -107.79 3 2 2 21 288.479 4
Hi High (pH 8-9.5) 4.11 9.92 -30.83 2 2 1 16 287.471 4
Hi High (pH 8-9.5) 4.11 9.33 -37.55 2 2 1 20 287.471 4

Activity (Go SEA)

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