UCSF

ZINC34986868

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 38 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) 4.07 13.24 -71.69 3 6 1 76 515.605 12
Hi High (pH 8-9.5) 4.07 12.86 -12.7 2 6 0 74 514.597 12

Activity (Go SEA)

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