UCSF

ZINC36132233

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 17 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) 0.46 3.06 -33.62 4 5 1 72 235.311 2
Mid Mid (pH 6-8) 0.46 2.58 -13.34 3 5 0 71 234.303 2

Activity (Go SEA)

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