UCSF

ZINC34929975

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) 4.14 8.29 -7.8 0 5 0 42 376.541 11
Mid Mid (pH 6-8) 4.14 10.58 -50.28 1 5 1 43 377.549 11

Activity (Go SEA)

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