UCSF

ZINC36154301

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 23 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) 2.79 4.48 -20.26 2 5 0 67 349.843 6
Hi High (pH 8-9.5) 2.79 4.94 -11.31 2 5 0 67 349.843 6
Lo Low (pH 4.5-6) 2.79 5.87 -58.61 3 5 1 72 350.851 6

Activity (Go SEA)

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