UCSF

ZINC36158186

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) 1.29 3.77 -50.08 3 3 1 54 208.281 4
Mid Mid (pH 6-8) 1.29 3.36 -8.36 2 3 0 52 207.273 4

Activity (Go SEA)

Rings

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