UCSF

ZINC33808298

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 37 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) 4.12 9.72 -54.61 0 9 -1 122 517.539 7
Lo Low (pH 4.5-6) 4.12 8.9 -16.47 1 9 0 119 518.547 7

Activity (Go SEA)

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