UCSF

ZINC33831373

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 36 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) 3.66 10.95 -56.09 1 6 -1 112 499.668 6
Lo Low (pH 4.5-6) 3.66 9.83 -17.5 2 6 0 109 500.676 6

Activity (Go SEA)

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