UCSF

ZINC51016702

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 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) 4.22 11.15 -40.51 2 1 1 17 290.377 6
Hi High (pH 8-9.5) 4.22 9.94 -4.7 1 1 0 12 289.369 6

Activity (Go SEA)

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