UCSF

ZINC29225907

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2009 21 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) -1.43 6.31 -39.05 1 4 1 32 329.251 3
Mid Mid (pH 6-8) -1.43 8.81 -112.96 2 4 2 34 330.259 3

Activity (Go SEA)

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