UCSF

ZINC38121659

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 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) 1.50 2.27 -36.64 3 3 1 40 223.34 6
Mid Mid (pH 6-8) 1.50 3.64 -36.42 3 3 1 37 223.34 6
Lo Low (pH 4.5-6) 1.50 4.73 -111.76 4 3 2 41 224.348 6

Activity (Go SEA)

Rings

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