UCSF

ZINC41476266

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 19 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) 0.80 8.24 -43.66 1 6 1 51 261.353 2
Mid Mid (pH 6-8) 0.80 6.02 -7.06 0 6 0 50 260.345 2

Activity (Go SEA)

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