UCSF

ZINC16894800

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2008 36 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) 6.44 12.58 -23.86 2 7 0 101 519.648 7
Hi High (pH 8-9.5) 6.90 11.33 -55.59 1 7 -1 104 518.64 7

Activity (Go SEA)

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