UCSF

ZINC37813479

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 14 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) 0.47 2.06 -44.98 3 3 1 48 213.223 4
Mid Mid (pH 6-8) 0.47 1.71 -8.6 2 3 0 46 212.215 4

Activity (Go SEA)

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