UCSF

ZINC37081885

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 1.88 5.36 -121.02 4 3 2 35 251.418 6
Hi High (pH 8-9.5) 1.88 3.56 -43.31 3 3 1 34 250.41 6
Mid Mid (pH 6-8) 1.88 5.02 -27.92 3 3 1 34 250.41 6

Activity (Go SEA)

Rings

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