UCSF

ZINC24878531

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2009 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.35 7.03 -41.02 2 3 1 29 311.396 7
Mid Mid (pH 6-8) 3.35 9.56 -109.21 3 3 2 30 312.404 7

Activity (Go SEA)

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