UCSF

ZINC40189945

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 6.25 11.91 -7.91 1 4 0 47 391.559 5
Lo Low (pH 4.5-6) 6.25 12.29 -30.57 2 4 1 48 392.567 5

Activity (Go SEA)

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