UCSF

ZINC37835460

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) 0.62 6.13 -46.68 0 5 -1 64 275.328 3
Lo Low (pH 4.5-6) 0.62 8.37 -48.31 1 5 0 65 276.336 3
Lo Low (pH 4.5-6) 0.62 3.92 -9.36 1 5 0 61 276.336 3

Activity (Go SEA)

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