UCSF

ZINC34856068

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 37 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) 8.34 19.27 -63.43 2 5 0 57 492.643 8
Mid Mid (pH 6-8) 8.34 18.81 -20.42 1 5 0 56 491.635 8
Mid Mid (pH 6-8) 8.34 18.76 -36.79 2 5 1 60 492.643 8
Lo Low (pH 4.5-6) 8.34 19.24 -90.96 3 5 2 61 493.651 8

Activity (Go SEA)

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