UCSF

ZINC42463794

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) 2.38 6.23 -113.87 4 3 2 41 258.45 7
Hi High (pH 8-9.5) 2.38 4.21 -37.81 3 3 1 40 257.442 7
Hi High (pH 8-9.5) 2.38 5.88 -29.49 3 3 1 40 257.442 7

Activity (Go SEA)

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