UCSF

ZINC26154775

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 29 Yes

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) 3.59 9.17 -55.98 3 5 1 63 428.862 9
Mid Mid (pH 6-8) 3.59 6.85 -13.97 2 5 0 61 427.854 9

Activity (Go SEA)

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