UCSF

ZINC43910575

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 18 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) 3.03 8.46 -106.99 3 2 2 21 252.377 4
Hi High (pH 8-9.5) 3.03 6.48 -32.47 2 2 1 20 251.369 4
Hi High (pH 8-9.5) 3.03 7.21 -32.22 2 2 1 16 251.369 4

Activity (Go SEA)

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