UCSF

ZINC26997176

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2009 39 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) 5.09 13.65 -71.41 1 10 -1 140 537.589 14
Mid Mid (pH 6-8) 5.09 14.02 -68.81 2 10 0 141 538.597 14

Activity (Go SEA)

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