UCSF

ZINC49566480

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 21 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) 2.15 2.7 -105.02 1 7 -2 113 373.184 5
Lo Low (pH 4.5-6) 2.15 2.69 -51.98 2 7 -1 111 374.192 5

Activity (Go SEA)

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

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