UCSF

ZINC34959860

Substance Information

In ZINC since Heavy atoms Benign functionality
October 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) 3.26 9.16 -9.19 3 3 0 55 330.431 6
Mid Mid (pH 6-8) 3.26 9.47 -45.51 4 3 1 57 331.439 6

Activity (Go SEA)

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