UCSF

ZINC52002265

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2010 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.87 8.68 -109.19 3 4 2 38 338.467 6
Hi High (pH 8-9.5) 2.87 6.44 -36.17 2 4 1 37 337.459 6

Activity (Go SEA)

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