UCSF

ZINC00948642

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 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) 4.06 10.24 -33.87 2 5 1 62 351.426 8
Mid Mid (pH 6-8) 4.06 9.83 -6.92 1 5 0 60 350.418 8

Activity (Go SEA)

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