UCSF

ZINC19853750

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 34 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) 3.81 14.51 -21.77 1 8 0 91 487.614 9
Lo Low (pH 4.5-6) 3.81 14.99 -49.06 2 8 1 92 488.622 9

Activity (Go SEA)

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