UCSF

ZINC55072844

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 30 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) 3.31 10.47 -43.07 1 5 1 31 417.593 4
Hi High (pH 8-9.5) 3.31 8.27 -9.78 0 5 0 30 416.585 4

Activity (Go SEA)

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