UCSF

ZINC36790185

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 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) 3.41 8.21 -122.15 4 2 2 32 250.43 7
Hi High (pH 8-9.5) 3.41 7.94 -27.88 3 2 1 30 249.422 7
Hi High (pH 8-9.5) 3.41 5.93 -43.02 3 2 1 31 249.422 7

Activity (Go SEA)

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