UCSF

ZINC20228674

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 33 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) 5.49 8.08 -27.53 3 7 0 100 442.471 7
Hi High (pH 8-9.5) 5.49 9.1 -67.58 2 7 -1 103 441.463 7

Activity (Go SEA)

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