UCSF

ZINC34922156

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 38 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) 6.44 15.62 -10.32 0 5 0 42 507.609 6
Mid Mid (pH 6-8) 6.44 17.83 -49.25 1 5 1 43 508.617 6

Activity (Go SEA)

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