UCSF

ZINC06620537

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2006 31 No

Download: MOL2 SDF SMILES Flexibase

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) 4.43 10.39 -61.99 0 5 -1 70 422.476 6
Lo Low (pH 4.5-6) 4.43 9.64 -14.36 1 5 0 67 423.484 6

Activity (Go SEA)

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