UCSF

ZINC06786287

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2006 24 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) 1.62 5.43 -64.23 0 6 -1 83 326.328 6
Mid Mid (pH 6-8) 2.06 0.85 -18.46 1 6 0 79 327.336 5
Mid Mid (pH 6-8) 1.04 0.83 -10.83 0 6 0 76 327.336 6

Activity (Go SEA)

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