UCSF

ZINC31972473

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 23 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 2.38 6.35 -52.65 3 6 -1 108 332.405 8
Mid Mid (pH 6-8) 2.38 6.38 -88.81 2 6 -2 106 331.397 8
Lo Low (pH 4.5-6) 1.87 4.86 -13.55 4 6 0 106 333.413 8

Activity (Go SEA)

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