UCSF

ZINC04541045

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 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) 2.83 7.83 -49.21 0 7 -1 88 424.473 8
Mid Mid (pH 6-8) 3.28 0.78 -16.22 1 7 0 85 425.481 7
Mid Mid (pH 6-8) 2.25 0.74 -13.76 0 7 0 82 425.481 8

Activity (Go SEA)

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