UCSF

ZINC22788065

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 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) 3.71 9.82 -40.18 2 4 1 37 386.947 6
Hi High (pH 8-9.5) 3.71 7.61 -9.72 1 4 0 36 385.939 6
Mid Mid (pH 6-8) 3.70 9.82 -41.63 2 4 1 37 386.947 6

Activity (Go SEA)

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