UCSF

ZINC34571071

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 15 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) 2.92 5.19 -6.19 3 3 0 55 221.691 1
Mid Mid (pH 6-8) 2.92 5.36 -28.14 4 3 1 56 222.699 1

Activity (Go SEA)

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