UCSF

ZINC39820844

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2010 21 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) -3.43 -0.45 -120.37 8 8 1 154 303.383 10
Hi High (pH 8-9.5) -3.43 -0.8 -77.63 7 8 0 152 302.375 10

Activity (Go SEA)

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