UCSF

ZINC41588456

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 37 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) 5.38 11.25 -11.88 0 7 0 70 501.579 8
Mid Mid (pH 6-8) 5.38 14.11 -56.3 1 7 1 72 502.587 8

Activity (Go SEA)

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