UCSF

ZINC51424312

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2010 16 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.83 6.22 -9.06 0 2 0 27 224.254 5
Lo Low (pH 4.5-6) 1.83 8.36 -57.7 1 2 1 28 225.262 5

Activity (Go SEA)

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