UCSF

ZINC05952393

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2006 26 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) 3.07 8.07 -51.6 4 6 1 75 355.462 8
Hi High (pH 8-9.5) 3.07 5.85 -15.3 3 6 0 73 354.454 8

Activity (Go SEA)

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