UCSF

ZINC19928372

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 31 No

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) 1.09 1.27 -18.46 3 13 0 159 427.425 7
Mid Mid (pH 6-8) 1.09 3.69 -48.42 4 13 1 160 428.433 7

Activity (Go SEA)

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