UCSF

ZINC16600720

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2008 32 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) 4.37 6.62 -16.01 2 7 0 94 474.966 9
Hi High (pH 8-9.5) 4.37 6.71 -50.11 1 7 -1 96 473.958 9

Activity (Go SEA)

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