UCSF

ZINC36270224

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 25 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) 2.49 6.69 -43.93 2 5 1 46 341.41 4
Hi High (pH 8-9.5) 2.49 5.34 -8.27 1 5 0 42 340.402 4
Mid Mid (pH 6-8) 2.49 7.34 -84.77 3 5 2 48 342.418 4

Activity (Go SEA)

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