UCSF

ZINC39981390

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 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) -1.07 3.33 -63.07 3 6 1 79 288.327 2
Mid Mid (pH 6-8) -1.07 2.03 -27.19 2 6 0 74 287.319 2

Activity (Go SEA)

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