UCSF

ZINC31995457

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 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) 2.42 8.09 -114.51 3 5 2 49 336.476 7
Hi High (pH 8-9.5) 2.42 6.66 -47.07 2 5 1 44 335.468 7
Hi High (pH 8-9.5) 2.42 5.59 -47.73 2 5 1 48 335.468 7

Activity (Go SEA)

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