UCSF

ZINC33869478

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 20 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) 0.86 4.19 -52.55 4 4 1 70 402.281 5
Mid Mid (pH 6-8) 0.86 3.86 -7.89 3 4 0 68 401.273 5

Activity (Go SEA)

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