UCSF

ZINC07052116

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2006 28 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) 3.95 -1.54 -21.38 1 6 0 73 399.516 6
Hi High (pH 8-9.5) 3.95 -0.99 -60.07 0 6 -1 75 398.508 6

Activity (Go SEA)

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