UCSF

ZINC49401672

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 29 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) 1.20 6.83 -20.71 1 8 0 99 407.455 6
Lo Low (pH 4.5-6) 1.20 7.3 -51.11 2 8 1 100 408.463 6

Activity (Go SEA)

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

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