UCSF

ZINC34685804

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -0.30 3.18 -52.9 2 8 1 77 394.492 8
Hi High (pH 8-9.5) -0.30 1.81 -13.94 1 8 0 73 393.484 8
Mid Mid (pH 6-8) -0.30 5.44 -117.23 3 8 2 78 395.5 8

Activity (Go SEA)

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