UCSF

ZINC39757293

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 31 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) 0.91 5.02 -22.43 3 10 0 135 481.991 9
Hi High (pH 8-9.5) 1.10 3.82 -52 2 10 -1 141 480.983 9

Activity (Go SEA)

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