UCSF

ZINC49557828

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 15 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) 0.94 4.92 -38.42 1 3 1 25 211.329 3
Lo Low (pH 4.5-6) 0.94 7.37 -109.02 2 3 2 26 212.337 3

Activity (Go SEA)

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

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