UCSF

ZINC39293332

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 34 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) 3.43 10.47 -42.32 3 7 1 81 457.554 5
Mid Mid (pH 6-8) 3.43 10.07 -14.06 2 7 0 80 456.546 5

Activity (Go SEA)

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