UCSF

ZINC01470051

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2004 26 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) 2.57 -1.94 -23.46 1 6 0 73 369.446 5
Hi High (pH 8-9.5) 2.57 -1.4 -63.07 0 6 -1 75 368.438 5

Activity (Go SEA)

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