UCSF

ZINC15372104

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2008 27 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) 2.66 10.7 -46.27 1 5 1 43 369.485 6
Hi High (pH 8-9.5) 2.66 8.78 -12.63 0 5 0 42 368.477 6

Activity (Go SEA)

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