UCSF

ZINC44930388

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2010 18 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) 0.27 -0.22 -42.12 1 8 -1 102 273.342 4
Lo Low (pH 4.5-6) 0.27 0.02 -16.11 2 8 0 104 274.35 4

Activity (Go SEA)

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

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