UCSF

ZINC37303082

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 19 Yes

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) 1.63 3.72 -13.66 1 5 0 64 277.349 6
Mid Mid (pH 6-8) 1.63 4.99 -42.54 2 5 1 69 278.357 6

Activity (Go SEA)

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