UCSF

ZINC20055554

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 14 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) -0.99 -0.93 -56.91 5 6 1 98 202.234 4
Mid Mid (pH 6-8) -0.99 -2.4 -25.07 4 6 0 93 201.226 4

Activity (Go SEA)

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