UCSF

ZINC42554849

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 19 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
Hi High (pH 8-9.5) 2.49 3.39 -44.83 3 3 1 34 268.469 7
Hi High (pH 8-9.5) 2.49 6.12 -31.28 3 3 1 34 268.469 7
Mid Mid (pH 6-8) 2.48 6.97 -95.84 4 3 2 35 269.477 7
Mid Mid (pH 6-8) 2.48 4.86 -118.8 4 3 2 35 269.477 7
Mid Mid (pH 6-8) 2.48 5.81 -109.24 4 3 2 35 269.477 7
Lo Low (pH 4.5-6) 2.48 7.28 -213.5 5 3 3 37 270.485 7

Activity (Go SEA)

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