UCSF

ZINC22913844

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 27 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) 2.44 7.57 -42.61 2 6 1 57 373.521 5
Hi High (pH 8-9.5) 2.44 5.32 -14.07 1 6 0 56 372.513 5
Hi High (pH 8-9.5) 2.44 7.55 -39.45 2 6 1 57 373.521 5

Activity (Go SEA)

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