UCSF

ZINC66188754

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 26 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) 5.93 10.52 -6.27 2 3 0 33 366.892 8
Lo Low (pH 4.5-6) 5.93 11.12 -38.73 3 3 1 38 367.9 8

Activity (Go SEA)

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