UCSF

ZINC36357543

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 32 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) 3.13 6.24 -29.55 2 7 1 70 435.548 6
Ref Reference (pH 7) 2.48 7.56 -13.24 1 7 0 65 434.54 6
Mid Mid (pH 6-8) 2.48 9.82 -41.72 2 7 1 66 435.548 6
Mid Mid (pH 6-8) 3.13 8.51 -86.51 3 7 2 71 436.556 6

Activity (Go SEA)

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