UCSF

ZINC36364787

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 24 Yes

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) 1.46 6.95 -13.77 1 5 0 62 343.814 5
Lo Low (pH 4.5-6) 1.46 7.41 -47.87 2 5 1 64 344.822 5

Activity (Go SEA)

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