UCSF

ZINC69697942

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 21 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) 2.22 6.39 -91.31 4 4 2 49 300.487 6
Hi High (pH 8-9.5) 2.22 4.65 -32.88 3 4 1 48 299.479 6

Activity (Go SEA)

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