UCSF

ZINC34950322

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 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) 5.48 14.86 -55.78 1 6 1 60 531.698 11
Hi High (pH 8-9.5) 5.48 12.4 -14.97 0 6 0 59 530.69 11

Activity (Go SEA)

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