UCSF

ZINC41292982

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 26 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) 0.89 6.87 -52.88 2 6 1 66 352.414 3
Mid Mid (pH 6-8) 0.89 5.61 -15.27 1 6 0 62 351.406 3

Activity (Go SEA)

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