UCSF

ZINC22728265

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 21 No

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) 3.84 7.52 -17.86 1 4 0 63 279.295 2
Hi High (pH 8-9.5) 3.84 8.31 -56.29 0 4 -1 66 278.287 2
Lo Low (pH 4.5-6) 3.84 8.18 -45.19 2 4 1 64 280.303 2

Activity (Go SEA)

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

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