UCSF

ZINC45697687

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 20 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) 1.57 5.9 -93.92 4 4 2 51 282.428 9
Hi High (pH 8-9.5) 1.57 4.48 -36.09 3 4 1 46 281.42 9

Activity (Go SEA)

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