UCSF

ZINC43914521

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 21 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) 4.50 11.36 -116.3 3 2 2 21 290.495 6
Hi High (pH 8-9.5) 4.50 9.83 -40.57 2 2 1 20 289.487 6
Hi High (pH 8-9.5) 4.50 10.44 -36.31 2 2 1 16 289.487 6

Activity (Go SEA)

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