UCSF

ZINC34672558

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 22 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) 0.21 5.78 -39.61 1 5 0 57 314.332 7
Lo Low (pH 4.5-6) 0.21 8.06 -87.15 2 5 1 58 315.34 7

Activity (Go SEA)

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