UCSF

ZINC43261452

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) 3.42 7.42 -41.06 3 3 1 40 370.336 6
Hi High (pH 8-9.5) 3.42 5.59 -3.87 2 3 0 38 369.328 6
Mid Mid (pH 6-8) 3.42 7.73 -130.24 4 3 2 41 371.344 6
Mid Mid (pH 6-8) 3.42 5.95 -50.98 3 3 1 40 370.336 6

Activity (Go SEA)

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