UCSF

ZINC40954314

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 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) 4.01 6.96 -38.49 3 3 1 54 228.356 6
Mid Mid (pH 6-8) 4.01 6.67 -3.32 2 3 0 52 227.348 6

Activity (Go SEA)

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