UCSF

ZINC36991857

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 2.38 6.82 -47.71 3 4 1 69 278.335 3
Mid Mid (pH 6-8) 2.38 5.83 -10.36 2 4 0 65 277.327 3

Activity (Go SEA)

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