UCSF

ZINC06857217

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2006 21 Yes

Download: MOL2 SDF SMILES Flexibase

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) 3.29 -4.57 -11.39 1 5 0 76 389.658 4
Hi High (pH 8-9.5) 3.29 -3.99 -32.5 0 5 -1 78 388.65 4

Activity (Go SEA)

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