UCSF

ZINC37784438

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 0.38 2.89 -48.71 4 6 1 83 283.396 3
Hi High (pH 8-9.5) 0.38 1.84 -14.11 3 6 0 79 282.388 3

Activity (Go SEA)

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