UCSF

ZINC33707796

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 35 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) 6.03 12.02 -11.51 1 7 0 80 497.661 12
Lo Low (pH 4.5-6) 2.37 13.03 -37.43 2 7 1 80 498.669 13

Activity (Go SEA)

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