UCSF

ZINC41066318

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2010 21 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) 2.99 4.42 -38.61 1 5 0 66 396.738 5
Mid Mid (pH 6-8) 2.99 4.65 -43.02 2 5 1 63 397.746 5

Activity (Go SEA)

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