UCSF

ZINC37333838

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 13 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) 1.87 7.13 -37.92 1 2 1 22 178.255 4
Mid Mid (pH 6-8) 1.87 4.85 -6.83 0 2 0 20 177.247 4

Activity (Go SEA)

Rings

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