UCSF

ZINC45628360

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 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) 2.32 6.57 -23.35 3 3 1 45 202.281 1
Mid Mid (pH 6-8) 2.32 6.5 -8.09 2 3 0 44 201.273 1

Activity (Go SEA)

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