UCSF

ZINC36194185

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 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) 2.55 9.47 -48.29 2 5 1 50 347.87 6
Hi High (pH 8-9.5) 2.55 7.41 -9.3 1 5 0 48 346.862 6
Lo Low (pH 4.5-6) 2.55 9.91 -88.43 3 5 2 51 348.878 6

Activity (Go SEA)

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