UCSF

ZINC21810212

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 16 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) 3.63 6.6 -35.48 3 1 1 28 302.052 2
Mid Mid (pH 6-8) 3.63 6.32 -0.92 2 1 0 26 301.044 2

Activity (Go SEA)

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