UCSF

ZINC69923676

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 20 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) 1.03 6.75 -101.89 3 4 2 42 279.428 7
Hi High (pH 8-9.5) 1.03 4.42 -45.87 2 4 1 41 278.42 7

Activity (Go SEA)

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