UCSF

ZINC22177944

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 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) 1.21 2.31 -101.82 6 5 2 81 293.411 6
Hi High (pH 8-9.5) 1.21 0.03 -56.47 5 5 1 80 292.403 6

Activity (Go SEA)

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