UCSF

ZINC49947499

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2010 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) 2.34 7.51 -34.69 1 4 1 40 244.355 8
Mid Mid (pH 6-8) 2.34 5.79 -7.42 0 4 0 39 243.347 8

Activity (Go SEA)

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