UCSF

ZINC48757304

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2010 20 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) -0.76 2.44 -8.41 1 7 0 75 278.312 3
Lo Low (pH 4.5-6) -0.76 2.78 -34.06 2 7 1 76 279.32 3

Activity (Go SEA)

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