UCSF

ZINC16446159

Substance Information

In ZINC since Heavy atoms Benign functionality
August 28th, 2008 28 No

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) 2.45 8.56 -41.27 2 6 1 73 406.503 6
Hi High (pH 8-9.5) 2.45 6.39 -13.04 1 6 0 71 405.495 6

Activity (Go SEA)

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