UCSF

ZINC22418942

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 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) 1.00 7.39 -7.89 1 6 0 81 304.375 4
Hi High (pH 8-9.5) 1.46 5.6 -47.39 0 6 -1 84 303.367 4

Activity (Go SEA)

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