UCSF

ZINC31891717

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 2.97 9.09 -17.77 2 5 0 71 338.436 3
Hi High (pH 8-9.5) 3.04 8.19 -50.32 1 5 -1 77 337.428 3

Activity (Go SEA)

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