UCSF

ZINC33831555

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 24 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) 3.50 8.5 -56.42 1 4 -1 73 331.432 5
Lo Low (pH 4.5-6) 3.50 6.57 -7.94 2 4 0 71 332.44 5

Activity (Go SEA)

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