UCSF

ZINC64969934

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2011 33 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) 4.21 5.46 -16.07 0 9 0 96 445.479 4
Lo Low (pH 4.5-6) 4.21 6 -27.67 1 9 1 97 446.487 4
Lo Low (pH 4.5-6) 4.21 6 -27.96 1 9 1 97 446.487 4

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.