UCSF

ZINC37331776

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 20 No

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) 3.20 8.08 -33.73 2 6 1 75 301.798 7
Hi High (pH 8-9.5) 3.20 5.94 -4.3 1 6 0 74 300.79 7

Activity (Go SEA)

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