UCSF

ZINC37719624

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2009 19 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) 4.11 9.84 -32.29 2 2 1 26 269.393 5
Hi High (pH 8-9.5) 4.11 9.49 -6.48 1 2 0 25 268.385 5

Activity (Go SEA)

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

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