UCSF

ZINC25148913

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 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) 0.94 2.77 -55.45 3 6 1 80 314.431 7
Hi High (pH 8-9.5) 0.94 0.45 -14.01 2 6 0 79 313.423 7

Activity (Go SEA)

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