UCSF

ZINC36638637

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 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) 1.62 6.97 -38.44 3 6 1 76 353.512 6
Hi High (pH 8-9.5) 2.54 4.49 -10.03 2 6 0 78 352.504 5

Activity (Go SEA)

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