UCSF

ZINC47869088

Substance Information

In ZINC since Heavy atoms Benign functionality
September 8th, 2010 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.38 9.55 -37.52 1 4 1 28 370.92 7
Mid Mid (pH 6-8) 3.38 9.48 -36.18 1 4 1 28 370.92 7
Mid Mid (pH 6-8) 3.38 7.27 -8.85 0 4 0 27 369.912 7

Activity (Go SEA)

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