UCSF

ZINC09271500

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 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 6.42 -65.81 0 6 -1 83 326.328 6
Mid Mid (pH 6-8) 1.62 6.6 -13.82 1 6 0 80 327.336 6
Mid Mid (pH 6-8) 1.04 7.14 -13.39 0 6 0 77 327.336 6

Activity (Go SEA)

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