UCSF

ZINC06439668

Substance Information

In ZINC since Heavy atoms Benign functionality
March 28th, 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) 3.20 7.64 -66.51 0 7 -1 88 424.473 10
Lo Low (pH 4.5-6) 3.20 6.89 -18.76 1 7 0 85 425.481 10

Activity (Go SEA)

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