UCSF

ZINC40872281

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 23 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) 4.80 10.94 -43.65 0 3 -1 53 315.433 4
Lo Low (pH 4.5-6) 4.80 9.16 -5.76 1 3 0 50 316.441 4

Activity (Go SEA)

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

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