UCSF

ZINC16896616

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2008 34 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) 8.16 12.97 -21.82 2 5 0 75 512.1 7
Hi High (pH 8-9.5) 8.49 11.74 -57.44 1 5 -1 78 511.092 7

Activity (Go SEA)

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