UCSF

ZINC06781563

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2006 29 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) 3.60 8.47 -62.72 0 6 -1 83 396.463 8
Mid Mid (pH 6-8) 3.01 1.85 -12.34 0 6 0 76 397.471 8
Mid Mid (pH 6-8) 3.60 7.64 -15.57 1 6 0 80 397.471 8

Activity (Go SEA)

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