UCSF

ZINC59055534

Substance Information

In ZINC since Heavy atoms Benign functionality
February 23rd, 2011 19 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) 5.21 8.91 -35.01 2 2 1 20 269.497 10
Mid Mid (pH 6-8) 5.21 10.88 -112.08 3 2 2 21 270.505 10

Activity (Go SEA)

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