UCSF

ZINC33813445

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 33 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) 2.42 15.02 -57.41 0 8 -1 111 487.627 9
Lo Low (pH 4.5-6) 2.42 10.99 -22.65 1 8 0 108 488.635 9

Activity (Go SEA)

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