UCSF

ZINC03950715

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2005 32 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) 1.78 -0.2 -19.22 3 11 0 143 458.415 10
Lo Low (pH 4.5-6) 1.78 -0.05 -44.94 4 11 1 144 459.423 10
Lo Low (pH 4.5-6) 1.78 -0.05 -44.06 4 11 1 144 459.423 10

Activity (Go SEA)

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