UCSF

ZINC04989782

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2006 18 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) 4.13 9.76 -33.21 1 2 1 14 248.39 5
Hi High (pH 8-9.5) 4.13 7.33 -2.93 0 2 0 12 247.382 5

Activity (Go SEA)

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