UCSF

ZINC06779750

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2006 22 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) 1.49 -3.03 -18.53 2 7 0 105 322.342 6
Hi High (pH 8-9.5) 1.49 -2.45 -51.22 1 7 -1 107 321.334 6

Activity (Go SEA)

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