UCSF

ZINC06786376

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2006 25 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) 2.30 6.37 -60.82 0 6 -1 83 360.773 6
Mid Mid (pH 6-8) 2.74 0.49 -21.49 1 6 0 79 361.781 5
Mid Mid (pH 6-8) 1.71 0.38 -13.82 0 6 0 76 361.781 6

Activity (Go SEA)

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