UCSF

ZINC35649645

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 13 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) -1.23 -2.41 -12.5 2 5 0 76 185.227 6
Mid Mid (pH 6-8) -1.23 -0.14 -50.57 3 5 1 78 186.235 6

Activity (Go SEA)

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