UCSF

ZINC34655066

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 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) 1.73 3.38 -52.57 3 5 1 78 306.411 5
Hi High (pH 8-9.5) 1.73 2.97 -10.66 2 5 0 76 305.403 5

Activity (Go SEA)

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