UCSF

ZINC43260866

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.64 3.09 -48.56 4 3 1 51 348.33 5
Hi High (pH 8-9.5) 2.64 2.03 -2.99 3 3 0 49 347.322 5
Mid Mid (pH 6-8) 2.64 4.46 -34.56 4 3 1 51 348.33 5
Mid Mid (pH 6-8) 2.64 4.79 -123.33 5 3 2 52 349.338 5

Activity (Go SEA)

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