UCSF

ZINC37871827

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 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) 1.31 4.2 -51.67 3 4 1 69 218.28 5
Hi High (pH 8-9.5) 1.31 2.85 -10.06 2 4 0 65 217.272 5

Activity (Go SEA)

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