UCSF

ZINC59539185

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2011 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) 2.67 4.53 -11.44 3 4 0 58 247.342 4
Lo Low (pH 4.5-6) 2.67 4.39 -43.97 4 4 1 60 248.35 4
Lo Low (pH 4.5-6) 2.67 4.88 -38.98 4 4 1 63 248.35 4

Activity (Go SEA)

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