UCSF

ZINC41586942

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) 5.55 11.29 -10.81 0 5 0 52 441.527 6
Mid Mid (pH 6-8) 5.55 14.15 -53.42 1 5 1 53 442.535 6

Activity (Go SEA)

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