UCSF

ZINC35744453

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 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) 2.42 7.14 -53.94 3 6 1 80 392.545 10
Hi High (pH 8-9.5) 2.87 4.79 -49.67 2 6 0 83 391.537 10
Hi High (pH 8-9.5) 2.42 6.49 -15.95 2 6 0 78 391.537 10

Activity (Go SEA)

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