UCSF

ZINC36327153

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 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) 0.88 2.63 -5.8 0 4 0 39 201.266 5
Mid Mid (pH 6-8) 0.88 4.81 -38.39 1 4 1 40 202.274 5

Activity (Go SEA)

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