UCSF

ZINC23234469

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 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) 1.85 6.62 -51.45 2 6 1 57 376.521 6
Hi High (pH 8-9.5) 1.85 7.42 -75.67 1 6 0 60 375.513 6

Activity (Go SEA)

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