UCSF

ZINC34682619

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 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) 3.45 11.3 -55.62 1 3 1 25 347.479 5
Hi High (pH 8-9.5) 3.45 9.04 -8.61 0 3 0 24 346.471 5

Activity (Go SEA)

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