UCSF

ZINC70188300

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2011 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) -0.39 3.89 -124.61 4 5 1 85 253.322 4
Lo Low (pH 4.5-6) -0.39 3.02 -117.06 5 5 2 83 254.33 4

Activity (Go SEA)

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

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