UCSF

ZINC42429299

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 21 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) -1.54 -0.43 -11.16 5 6 0 101 288.351 3
Mid Mid (pH 6-8) -1.54 0.24 -45.27 6 6 1 103 289.359 3
Mid Mid (pH 6-8) -1.54 -0.09 -48.81 6 6 1 103 289.359 3
Mid Mid (pH 6-8) -1.54 -0.12 -50.61 6 6 1 103 289.359 3
Mid Mid (pH 6-8) -1.54 0.25 -44.37 6 6 1 103 289.359 3

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.