UCSF

ZINC04900720

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 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) 3.65 -2.78 -21.65 1 7 0 84 414.531 8
Mid Mid (pH 6-8) 3.65 -2.6 -34.78 2 7 1 85 415.539 8

Activity (Go SEA)

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