UCSF

ZINC34343208

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.82 6.26 -11.05 3 4 0 57 319.408 4
Lo Low (pH 4.5-6) 2.82 7.55 -47.74 4 4 1 61 320.416 4

Activity (Go SEA)

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