UCSF

ZINC13471697

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 34 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) 5.07 14.05 -94.67 2 6 2 61 470.654 15
Hi High (pH 8-9.5) 5.07 14.62 -52.34 1 6 1 60 469.646 15

Activity (Go SEA)

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