UCSF

ZINC39675709

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) 3.00 11.43 -116.56 4 6 2 70 485.072 7
Hi High (pH 8-9.5) 3.00 8.99 -56.06 3 6 1 69 484.064 7

Activity (Go SEA)

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