UCSF

ZINC36159785

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 22 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) 1.41 6.02 -46.51 3 5 1 70 320.438 5
Hi High (pH 8-9.5) 1.86 2.95 -48.8 2 5 0 74 319.43 5
Hi High (pH 8-9.5) 1.41 3.85 -11.7 2 5 0 69 319.43 5

Activity (Go SEA)

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