UCSF

ZINC31917703

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 23 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) 0.98 5.44 -54.35 3 5 1 66 319.425 6
Hi High (pH 8-9.5) 0.98 5.11 -6.72 2 5 0 65 318.417 6

Activity (Go SEA)

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