UCSF

ZINC95375110

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2013 27 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) 3.48 11.49 -28.71 1 5 0 57 368.477 7
Hi High (pH 8-9.5) 3.48 12.48 -60.09 1 5 0 57 368.477 7
Hi High (pH 8-9.5) 3.48 10.22 -58.48 0 5 -1 56 367.469 7

Activity (Go SEA)

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

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