UCSF

ZINC45695139

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 21 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) 3.53 10.61 -82.93 3 3 2 24 297.462 9
Hi High (pH 8-9.5) 3.53 8.15 -38.8 2 3 1 23 296.454 9

Activity (Go SEA)

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