UCSF

ZINC19434149

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 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) -1.89 2.51 -17.6 1 6 0 63 195.226 2
Mid Mid (pH 6-8) -1.89 3.88 -62.18 2 6 1 68 196.234 2

Activity (Go SEA)

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