UCSF

ZINC37855335

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 16 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) 2.63 4.72 -5.54 1 2 0 21 233.233 7
Mid Mid (pH 6-8) 2.63 6.07 -47.47 2 2 1 26 234.241 7

Activity (Go SEA)

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