UCSF

ZINC48920406

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2010 20 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) 2.88 4.88 -12.21 2 5 0 67 273.336 4
Hi High (pH 8-9.5) 2.88 5.88 -58.2 1 5 -1 70 272.328 4

Activity (Go SEA)

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