UCSF

ZINC08996783

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 33 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) 3.44 10.61 -55.92 0 8 -1 113 469.47 7
Mid Mid (pH 6-8) 2.86 11.91 -14.41 0 8 0 107 470.478 7
Mid Mid (pH 6-8) 3.89 10.33 -23.92 1 8 0 110 470.478 6

Activity (Go SEA)

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