UCSF

ZINC20000662

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 1.17 3.97 -48.73 4 5 1 63 307.443 4
Hi High (pH 8-9.5) 1.17 1.62 -18.93 3 5 0 62 306.435 4

Activity (Go SEA)

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

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