UCSF

ZINC45653108

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 18 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) 2.66 7.12 -78.28 3 4 2 34 250.39 4
Hi High (pH 8-9.5) 2.66 6.86 -37.37 2 4 1 33 249.382 4
Hi High (pH 8-9.5) 2.66 4.82 -26.12 2 4 1 33 249.382 4

Activity (Go SEA)

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