UCSF

ZINC39678806

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 34 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) -0.19 5.95 -63 3 10 1 118 474.582 7
Lo Low (pH 4.5-6) -0.19 6.5 -109.34 4 10 2 119 475.59 7

Activity (Go SEA)

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