UCSF

ZINC33863531

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2009 24 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) 0.99 -3.31 -47.44 2 8 -1 117 397.205 4
Lo Low (pH 4.5-6) 0.81 -0.78 -11.69 3 8 0 111 398.213 4

Activity (Go SEA)

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