UCSF

ZINC41584454

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 31 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) 4.88 10.55 -41.1 2 6 1 73 426.533 9
Mid Mid (pH 6-8) 4.88 11.15 -26.91 1 6 0 76 425.525 9

Activity (Go SEA)

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