UCSF

ZINC36273221

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 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) 1.88 4.85 -42.32 4 6 1 77 327.408 6
Hi High (pH 8-9.5) 1.88 3.61 -12.62 3 6 0 76 326.4 6
Mid Mid (pH 6-8) 1.88 5.19 -88.85 5 6 2 78 328.416 6

Activity (Go SEA)

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