UCSF

ZINC09461116

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 38 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) 5.14 13.35 -55.5 0 7 -1 88 514.598 12
Mid Mid (pH 6-8) 4.56 0.25 -21.42 0 7 0 82 515.606 12

Activity (Go SEA)

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