UCSF

ZINC08740757

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 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) 3.18 9.31 -50.42 0 7 -1 88 424.473 9
Mid Mid (pH 6-8) 3.18 8.22 -13.66 1 7 0 85 425.481 9
Mid Mid (pH 6-8) 2.60 8.54 -13.55 0 7 0 82 425.481 9

Activity (Go SEA)

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