UCSF

ZINC37043368

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 21 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) 0.23 5.24 -74.39 4 5 0 97 288.278 4
Mid Mid (pH 6-8) 0.23 4.91 -55.51 3 5 -1 95 287.27 4

Activity (Go SEA)

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