UCSF

ZINC25436715

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 26 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) 3.15 2.66 -12.64 2 7 0 96 461.359 5
Mid Mid (pH 6-8) 3.15 3.51 -51.67 1 7 -1 99 460.351 5

Activity (Go SEA)

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