UCSF

ZINC36945369

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 20 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) 5.54 10.58 -45.46 2 1 1 17 357.674 4
Mid Mid (pH 6-8) 5.54 9.86 -3.96 1 1 0 12 356.666 4

Activity (Go SEA)

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