UCSF

ZINC43243188

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) 2.97 6.92 -29.03 3 3 1 40 311.515 9
Hi High (pH 8-9.5) 2.97 6.01 -39.99 3 3 1 40 311.515 9
Hi High (pH 8-9.5) 2.97 5.73 -1.79 2 3 0 38 310.507 9
Mid Mid (pH 6-8) 2.97 7.22 -107.46 4 3 2 41 312.523 9

Activity (Go SEA)

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