UCSF

ZINC36218533

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 22 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) 2.90 8.76 -10.37 1 4 0 45 297.402 5
Lo Low (pH 4.5-6) 2.90 9.19 -36.93 2 4 1 46 298.41 5

Activity (Go SEA)

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