UCSF

ZINC31992827

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 13 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) -2.02 -1.53 -8.83 3 5 0 84 186.211 2
Mid Mid (pH 6-8) -2.02 -1.21 -58.59 4 5 1 85 187.219 2

Activity (Go SEA)

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