UCSF

ZINC42879889

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 2.81 3.99 -45.26 3 6 1 82 296.343 7
Hi High (pH 8-9.5) 2.81 4.13 -8.41 2 6 0 77 295.335 7

Activity (Go SEA)

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