UCSF

ZINC45658936

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 20 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) 0.28 3.79 -94.8 4 5 2 53 289.464 10
Hi High (pH 8-9.5) 0.28 -0.05 -47.59 3 5 1 53 288.456 10
Hi High (pH 8-9.5) 0.28 2.02 -30.65 3 5 1 52 288.456 10
Mid Mid (pH 6-8) 0.28 2.36 -117.75 4 5 2 54 289.464 10

Activity (Go SEA)

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