UCSF

ZINC34825984

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 38 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) 5.64 13.52 -47.18 1 6 1 58 534.698 10
Hi High (pH 8-9.5) 5.64 11.34 -14.99 0 6 0 57 533.69 10

Activity (Go SEA)

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