UCSF

ZINC25513568

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 32 No

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) 4.93 13.21 -19.97 1 8 0 106 485.978 6
Hi High (pH 8-9.5) 5.00 12.31 -42.45 0 8 -1 112 484.97 6

Activity (Go SEA)

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