UCSF

ZINC43903134

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) 3.95 10.86 -115.38 3 2 2 21 288.479 4
Hi High (pH 8-9.5) 3.95 8.94 -36.08 2 2 1 20 287.471 4
Hi High (pH 8-9.5) 3.95 9.81 -28.78 2 2 1 16 287.471 4

Activity (Go SEA)

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