UCSF

ZINC36721038

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 15 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) -0.05 0.97 -41.83 3 4 1 57 231.341 2
Mid Mid (pH 6-8) -0.05 -0.33 -7.11 2 4 0 53 230.333 2

Activity (Go SEA)

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