UCSF

ZINC22078320

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 22 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) 2.77 7.14 -31.42 1 4 1 26 305.442 4
Hi High (pH 8-9.5) 2.77 5.54 -4.38 0 4 0 25 304.434 4

Activity (Go SEA)

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