UCSF

ZINC43262012

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 21 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) 2.98 7.71 -123.93 4 3 2 45 370.36 7
Hi High (pH 8-9.5) 2.98 5.78 -3.83 2 3 0 42 368.344 7
Mid Mid (pH 6-8) 2.98 7.42 -38.08 3 3 1 43 369.352 7
Mid Mid (pH 6-8) 2.98 6.07 -49.37 3 3 1 44 369.352 7
Lo Low (pH 4.5-6) 2.98 6.52 -93.71 4 3 2 45 370.36 7

Activity (Go SEA)

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