UCSF

ZINC38726879

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2010 29 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) 2.06 7.12 -10.71 1 6 0 62 395.503 8
Mid Mid (pH 6-8) 2.06 9.33 -47.73 2 6 1 63 396.511 8

Activity (Go SEA)

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