UCSF

ZINC35433177

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 19 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) 1.23 5.21 -61.03 0 6 -1 64 259.289 2
Mid Mid (pH 6-8) 1.23 7.55 -65.97 1 6 0 65 260.297 2
Lo Low (pH 4.5-6) 1.23 8.03 -80.41 2 6 1 66 261.305 2

Activity (Go SEA)

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