UCSF

ZINC66497989

Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 2011 21 Yes

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) 0.31 0.13 -51.35 5 7 1 106 319.451 7
Hi High (pH 8-9.5) 0.31 -2.4 -43.6 3 7 -1 107 317.435 7
Hi High (pH 8-9.5) 0.31 -0.24 -49.26 4 7 0 108 318.443 7
Hi High (pH 8-9.5) 0.31 -2.03 -16.99 4 7 0 105 318.443 7

Activity (Go SEA)

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