UCSF

ZINC31776285

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2009 24 Yes

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) 3.82 5.93 -45.01 0 5 -1 69 495.6 4
Lo Low (pH 4.5-6) 3.82 5.86 -14.64 1 5 0 66 496.608 4

Activity (Go SEA)

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