UCSF

ZINC34949901

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 35 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) 6.54 12.79 -8.58 1 5 0 45 508.449 6
Mid Mid (pH 6-8) 6.54 15.04 -56.08 2 5 1 46 509.457 6

Activity (Go SEA)

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