UCSF

ZINC37093061

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 17 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) -0.29 3.35 -54.94 2 5 1 57 240.327 2
Mid Mid (pH 6-8) -0.29 2.06 -9.44 1 5 0 53 239.319 2

Activity (Go SEA)

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