UCSF

ZINC37835862

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) 0.46 9.33 -105.94 2 6 1 69 298.407 6
Lo Low (pH 4.5-6) 0.46 7.34 -95.05 3 6 2 66 299.415 6

Activity (Go SEA)

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