UCSF

ZINC37098326

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 17 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) 0.77 6.08 -38.31 3 3 1 40 237.367 7
Mid Mid (pH 6-8) 0.77 6.43 -128.51 4 3 2 41 238.375 7
Mid Mid (pH 6-8) 0.77 4.44 -41.96 3 3 1 40 237.367 7

Activity (Go SEA)

Rings

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