UCSF

ZINC11639070

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2008 18 Yes

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) 2.62 6.53 -9.39 0 3 0 33 246.354 2
Lo Low (pH 4.5-6) 2.62 7.15 -27.72 1 3 1 34 247.362 2

Activity (Go SEA)

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