UCSF

ZINC43801141

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2010 15 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) -1.49 1 -61.2 3 6 1 81 217.245 5
Hi High (pH 8-9.5) -1.49 -0.34 -16.21 2 6 0 77 216.237 5

Activity (Go SEA)

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