UCSF

ZINC41536853

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 22 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) 2.00 6.78 -47.29 1 5 -1 82 319.406 5
Lo Low (pH 4.5-6) 2.00 4.96 -13.65 2 5 0 79 320.414 5

Activity (Go SEA)

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