UCSF

ZINC22167127

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) 1.86 3.81 -39.49 4 5 1 63 295.382 5
Hi High (pH 8-9.5) 1.86 1.51 -12.78 3 5 0 62 294.374 5

Activity (Go SEA)

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