UCSF

ZINC21813745

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 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) 5.05 5.14 -10.78 3 3 0 52 285.387 6
Hi High (pH 8-9.5) 5.05 5.92 -45.83 2 3 -1 55 284.379 6

Activity (Go SEA)

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