UCSF

ZINC43231698

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 17 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) -0.66 2.39 -54.27 3 5 1 72 236.343 6
Hi High (pH 8-9.5) -0.66 2.08 -10.11 2 5 0 71 235.335 6

Activity (Go SEA)

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