UCSF

ZINC09271626

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 37 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) 1.26 5.54 -61.23 0 10 -1 114 530.623 10
Mid Mid (pH 6-8) 1.71 6.56 -50.61 2 10 1 112 532.639 9
Mid Mid (pH 6-8) 1.26 7.88 -88.57 1 10 0 115 531.631 10

Activity (Go SEA)

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