UCSF

ZINC43700126

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 16 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) -0.51 5.85 -34.74 3 4 0 71 222.288 5
Hi High (pH 8-9.5) -0.51 5.47 -42.71 2 4 -1 69 221.28 5

Activity (Go SEA)

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