UCSF

ZINC36154434

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 28 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) 2.83 6.22 -60.63 3 6 1 75 399.54 6
Hi High (pH 8-9.5) 2.83 4.86 -12.37 2 6 0 70 398.532 6
Hi High (pH 8-9.5) 3.29 3.88 -47.34 2 6 0 78 398.532 6
Lo Low (pH 4.5-6) 2.83 7.12 -49.59 3 6 1 71 399.54 6

Activity (Go SEA)

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