UCSF

ZINC41513231

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 29 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 3.34 4.71 -11.33 1 6 0 72 403.381 5
Hi High (pH 8-9.5) 3.34 5.28 -42.18 0 6 -1 75 402.373 5
Lo Low (pH 4.5-6) 3.34 7 -48.34 2 6 1 73 404.389 5

Activity (Go SEA)

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