UCSF

ZINC34891247

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 19 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) 2.41 5.68 -7.68 2 4 0 58 251.289 3
Lo Low (pH 4.5-6) 2.41 6.14 -31.1 3 4 1 59 252.297 3

Activity (Go SEA)

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