UCSF

ZINC37818176

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 18 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) 0.14 0.24 -54.74 4 6 1 86 258.342 6
Mid Mid (pH 6-8) 0.14 0.09 -13.26 3 6 0 85 257.334 6

Activity (Go SEA)

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