UCSF

ZINC41585549

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 34 No

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) 5.20 12.58 -57.15 2 5 1 58 463.504 4
Mid Mid (pH 6-8) 5.20 13.13 -35.82 1 5 0 61 462.496 4
Mid Mid (pH 6-8) 5.20 10.32 -10.43 1 5 0 57 462.496 4
Mid Mid (pH 6-8) 5.20 10.92 -39.29 0 5 -1 60 461.488 4

Activity (Go SEA)

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