UCSF

ZINC46513104

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2010 17 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) -0.20 0.76 -14.67 0 6 0 68 258.347 3
Lo Low (pH 4.5-6) -0.20 2.99 -61.66 1 6 1 69 259.355 3

Activity (Go SEA)

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