UCSF

ZINC37853655

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 14 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) -0.58 -0.53 -8.09 2 4 0 51 201.266 9
Mid Mid (pH 6-8) -0.58 0.85 -42.74 3 4 1 55 202.274 9

Activity (Go SEA)

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