UCSF

ZINC25377704

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 28 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) 4.18 10.71 -55.65 2 5 1 56 396.898 7
Hi High (pH 8-9.5) 4.18 8.64 -17.37 1 5 0 54 395.89 7

Activity (Go SEA)

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