UCSF

ZINC34684352

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 28 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) 1.76 2.73 -50.63 2 8 1 81 387.46 7
Mid Mid (pH 6-8) 1.76 2.75 -48.33 2 8 1 81 387.46 7
Mid Mid (pH 6-8) 1.76 0.47 -10.71 1 8 0 80 386.452 7

Activity (Go SEA)

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