UCSF

ZINC43460816

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 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) 2.84 7.49 -50.78 1 5 -1 82 325.186 5
Hi High (pH 8-9.5) 2.84 6.61 -116.73 0 5 -2 80 324.178 5
Lo Low (pH 4.5-6) 2.84 7.48 -32.88 2 5 0 83 326.194 5

Activity (Go SEA)

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