UCSF

ZINC35890344

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 32 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) 5.51 13.93 -11.51 0 5 0 49 473.379 4
Mid Mid (pH 6-8) 5.51 14.25 -40.29 1 5 1 51 474.387 4

Activity (Go SEA)

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