UCSF

ZINC41586190

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 33 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) 5.23 13.25 -50.11 2 6 1 81 450.555 7
Hi High (pH 8-9.5) 5.23 10.98 -11.8 1 6 0 80 449.547 7
Mid Mid (pH 6-8) 5.23 13.83 -33.5 1 6 0 84 449.547 7

Activity (Go SEA)

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