UCSF

ZINC37835440

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) 1.55 9.02 -60.36 0 5 -1 73 289.355 5
Lo Low (pH 4.5-6) 1.55 6.92 -13.03 1 5 0 71 290.363 5
Lo Low (pH 4.5-6) 1.55 7.37 -36.33 2 5 1 72 291.371 5
Lo Low (pH 4.5-6) 1.55 9.48 -59.93 1 5 0 75 290.363 5

Activity (Go SEA)

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