UCSF

ZINC07415696

Substance Information

In ZINC since Heavy atoms Benign functionality
May 28th, 2006 27 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) 5.44 12.5 -15.49 1 4 0 47 383.561 6
Mid Mid (pH 6-8) 5.44 12.93 -32.83 2 4 1 48 384.569 6

Activity (Go SEA)

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