UCSF

ZINC33789801

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 34 No

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) 4.46 10.96 -43.07 0 7 -1 95 490.948 6
Lo Low (pH 4.5-6) 4.46 9.83 -22.57 1 7 0 93 491.956 6

Activity (Go SEA)

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