UCSF

ZINC26366276

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 25 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) 5.07 11 -20.82 1 4 0 66 388.279 4
Hi High (pH 8-9.5) 5.14 10.08 -45.61 0 4 -1 72 387.271 4

Activity (Go SEA)

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