UCSF

ZINC36633286

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 4.90 9.35 -18.61 1 5 0 60 356.447 6
Hi High (pH 8-9.5) 5.09 6.77 -48.8 0 5 -1 67 355.439 6

Activity (Go SEA)

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