UCSF

ZINC43242069

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 20 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) 3.89 9.16 -123.16 4 2 2 32 330.95 6
Hi High (pH 8-9.5) 3.89 7.06 -2.84 2 2 0 29 328.934 6
Hi High (pH 8-9.5) 3.89 7.39 -47.57 3 2 1 31 329.942 6
Mid Mid (pH 6-8) 3.89 8.86 -36.68 3 2 1 30 329.942 6

Activity (Go SEA)

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