UCSF

ZINC25910821

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2009 25 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) 3.23 8.39 -42.82 1 6 1 56 345.419 6
Mid Mid (pH 6-8) 3.23 6.12 -9.66 0 6 0 55 344.411 6

Activity (Go SEA)

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