UCSF

ZINC22787168

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 34 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) 2.34 9.04 -46.99 1 7 1 71 486.658 8
Hi High (pH 8-9.5) 2.34 6.33 -21.02 0 7 0 70 485.65 8

Activity (Go SEA)

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