UCSF

ZINC37843184

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 No

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) 3.82 5.18 -37.38 0 4 -1 57 390.106 7
Mid Mid (pH 6-8) 3.82 5.15 -8.73 1 4 0 55 391.114 7

Activity (Go SEA)

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