UCSF

ZINC44879039

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 20 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) 2.08 4.73 -44.77 4 6 1 83 287.428 8
Hi High (pH 8-9.5) 2.08 2.27 -12.15 3 6 0 82 286.42 8

Activity (Go SEA)

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