UCSF

ZINC43893421

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 19 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) 2.69 8.06 -117.4 3 3 2 34 263.429 4
Hi High (pH 8-9.5) 2.69 6.35 -34.86 2 3 1 33 262.421 4
Hi High (pH 8-9.5) 2.69 7.74 -34.62 2 3 1 29 262.421 4

Activity (Go SEA)

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