UCSF

ZINC69814229

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 14 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) 1.64 4.35 -31.81 1 3 1 17 201.334 5
Hi High (pH 8-9.5) 1.64 1.78 -2.57 0 3 0 16 200.326 5
Lo Low (pH 4.5-6) 1.64 6.63 -92.56 2 3 2 18 202.342 5

Activity (Go SEA)

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