UCSF

ZINC04378861

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2005 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) 4.63 13 -18.4 1 5 0 51 350.466 4
Lo Low (pH 4.5-6) 4.63 12.6 -46.2 2 5 1 56 351.474 4

Activity (Go SEA)

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