UCSF

ZINC19219243

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2008 28 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) 3.73 11.67 -100.56 2 4 2 21 389.628 10
Hi High (pH 8-9.5) 3.73 9.28 -36.55 1 4 1 20 388.62 10
Hi High (pH 8-9.5) 3.73 9.57 -38.54 1 4 1 20 388.62 10
Mid Mid (pH 6-8) 3.73 13.21 -82.31 2 4 2 21 389.628 10
Lo Low (pH 4.5-6) 3.73 13.67 -198.14 3 4 3 23 390.636 10

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.