UCSF

ZINC34952623

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 27 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) 1.91 1.1 -11.96 3 8 0 92 378.473 9
Mid Mid (pH 6-8) 1.91 3.38 -49.76 4 8 1 93 379.481 9

Activity (Go SEA)

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