UCSF

ZINC34948449

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 29 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) 4.39 9.81 -9.8 0 4 0 33 412.496 8
Mid Mid (pH 6-8) 4.39 12.1 -56.87 1 4 1 34 413.504 8

Activity (Go SEA)

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