UCSF

ZINC41654182

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 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) 0.32 0 -19.89 2 8 0 103 314.367 3
Hi High (pH 8-9.5) 0.77 -2.06 -51.51 1 8 -1 106 313.359 3

Activity (Go SEA)

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