UCSF

ZINC37853203

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) 1.37 5.37 -103.86 4 5 2 60 306.491 16
Mid Mid (pH 6-8) 1.37 3.23 -42.87 3 5 1 59 305.483 16

Activity (Go SEA)

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