UCSF

ZINC49235040

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2010 17 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) 1.80 5.69 -46.3 1 5 -1 82 253.303 4
Lo Low (pH 4.5-6) 1.80 3.69 -9.96 2 5 0 79 254.311 4

Activity (Go SEA)

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

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