UCSF

ZINC42463654

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) 2.91 6.82 -117.87 4 3 2 41 258.45 9
Hi High (pH 8-9.5) 2.91 4.93 -42.31 3 3 1 40 257.442 9
Hi High (pH 8-9.5) 2.91 6.38 -26.67 3 3 1 40 257.442 9

Activity (Go SEA)

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