UCSF

ZINC36778408

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 2.28 5.15 -9.41 1 4 0 53 276.723 3
Hi High (pH 8-9.5) 2.28 6.06 -48.8 0 4 -1 56 275.715 3
Lo Low (pH 4.5-6) 2.28 5.63 -33.77 2 4 1 55 277.731 3

Activity (Go SEA)

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