UCSF

ZINC35816944

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 24 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) 2.27 4.04 -10.2 2 6 0 69 334.464 7
Mid Mid (pH 6-8) 2.27 4.36 -33.79 3 6 1 70 335.472 7
Mid Mid (pH 6-8) 2.27 6.31 -42.15 3 6 1 70 335.472 7
Lo Low (pH 4.5-6) 2.27 6.63 -98.28 4 6 2 71 336.48 7

Activity (Go SEA)

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