UCSF

ZINC36761020

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 28 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) 3.70 10.49 -19.76 1 6 0 84 393.468 6
Hi High (pH 8-9.5) 3.88 8.07 -47.82 0 6 -1 91 392.46 6

Activity (Go SEA)

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