UCSF

ZINC20075238

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) -0.49 1.27 -47.92 3 4 1 49 195.29 3
Lo Low (pH 4.5-6) -0.49 3.62 -123.92 4 4 2 50 196.298 3

Activity (Go SEA)

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