UCSF

ZINC51131848

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2010 23 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) -0.11 1.62 -17.92 3 9 0 130 322.321 6
Lo Low (pH 4.5-6) -0.11 3.88 -60.02 4 9 1 132 323.329 6

Activity (Go SEA)

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