UCSF

ZINC37098042

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) 2.48 4.81 -44.36 3 2 1 31 261.311 6
Mid Mid (pH 6-8) 2.48 6.77 -123.32 4 2 2 32 262.319 6

Activity (Go SEA)

Rings

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