UCSF

ZINC04239268

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 26 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) 5.07 11.12 -11.44 1 4 0 47 341.414 5
Lo Low (pH 4.5-6) 5.07 11.46 -25.8 2 4 1 48 342.422 5

Activity (Go SEA)

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