UCSF

ZINC41654324

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 30 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) 2.84 6.35 -11.57 0 7 0 70 409.438 5
Mid Mid (pH 6-8) 2.84 9.33 -49.5 1 7 1 72 410.446 5

Activity (Go SEA)

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