UCSF

ZINC37271675

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) -0.76 4.17 -44.97 3 5 1 68 264.349 5
Mid Mid (pH 6-8) -0.76 3.84 -14.02 2 5 0 67 263.341 5

Activity (Go SEA)

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