UCSF

ZINC26510278

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 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) 1.78 8.6 -34.16 3 2 1 30 249.422 8
Lo Low (pH 4.5-6) 1.78 8.94 -114.11 4 2 2 32 250.43 8

Activity (Go SEA)

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