UCSF

ZINC06695396

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2006 31 Yes

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) 2.70 9.99 -16.1 2 6 0 76 416.456 6
Lo Low (pH 4.5-6) 2.70 10.47 -53.85 3 6 1 77 417.464 6

Activity (Go SEA)

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