UCSF

ZINC36158281

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 15 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.32 3.64 -37.71 4 2 1 48 208.325 5
Hi High (pH 8-9.5) 2.32 3.3 -2.9 3 2 0 46 207.317 5

Activity (Go SEA)

Rings

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