UCSF

ZINC20225319

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 18 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) 2.19 5.11 -50.61 3 2 1 31 265.377 5
Hi High (pH 8-9.5) 2.19 4.26 -3.31 2 2 0 29 264.369 5

Activity (Go SEA)

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