UCSF

ZINC37143243

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 26 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) 1.94 8.45 -52.62 2 6 1 64 356.425 5
Mid Mid (pH 6-8) 1.94 5.95 -11.08 1 6 0 63 355.417 5

Activity (Go SEA)

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