UCSF

ZINC37809643

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 16 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) -1.66 -2.52 -54.99 3 6 1 91 251.328 5
Hi High (pH 8-9.5) -1.66 -3.97 -17.83 2 6 0 87 250.32 5

Activity (Go SEA)

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