UCSF

ZINC22926350

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 36 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) 3.18 12.66 -52.7 2 8 1 75 487.628 7
Hi High (pH 8-9.5) 3.18 10.43 -21.54 1 8 0 74 486.62 7
Hi High (pH 8-9.5) 3.18 12.65 -56.65 2 8 1 75 487.628 7

Activity (Go SEA)

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