UCSF

ZINC39676209

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 36 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) 1.13 6.65 -64.46 4 9 1 121 490.584 6
Hi High (pH 8-9.5) 1.59 4.05 -71.89 3 9 0 124 489.576 6

Activity (Go SEA)

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