UCSF

ZINC07054001

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2006 24 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) 3.31 -1.24 -9.92 1 6 0 81 344.392 5
Hi High (pH 8-9.5) 3.31 -0.66 -35.61 0 6 -1 83 343.384 5

Activity (Go SEA)

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