UCSF

ZINC51170725

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2010 16 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) 3.11 6.88 -60.43 1 4 -1 69 256.068 2
Lo Low (pH 4.5-6) 3.11 6.87 -38.38 2 4 0 70 257.076 2

Activity (Go SEA)

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

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