UCSF

ZINC38138457

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2009 35 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) -1.49 7.7 -123.19 5 13 -2 216 478.469 9
Lo Low (pH 4.5-6) -1.49 8.13 -121.65 6 13 -1 217 479.477 9

Activity (Go SEA)

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

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