UCSF

ZINC31934810

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 23 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) 2.69 7.04 -58.96 3 5 1 72 336.481 7
Hi High (pH 8-9.5) 2.69 5.61 -13.15 2 5 0 67 335.473 7
Hi High (pH 8-9.5) 3.15 5.97 -47.9 2 5 0 75 335.473 7

Activity (Go SEA)

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