UCSF

ZINC06380010

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 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) 3.33 7.51 -61.69 0 7 -1 88 424.473 10
Mid Mid (pH 6-8) 2.75 -0.05 -21.85 0 7 0 82 425.481 10
Lo Low (pH 4.5-6) 3.33 6.75 -14.55 1 7 0 85 425.481 10

Activity (Go SEA)

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