UCSF

ZINC37250393

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 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) -0.19 5.11 -40.09 1 4 1 40 202.274 5
Mid Mid (pH 6-8) -0.19 2.88 -5.46 0 4 0 39 201.266 5

Activity (Go SEA)

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