UCSF

ZINC54127499

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2010 21 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) 2.20 4.36 -58.2 2 6 0 91 355.243 7
Hi High (pH 8-9.5) 2.20 2.03 -47.59 1 6 -1 90 354.235 7
Hi High (pH 8-9.5) 2.20 4.52 -79.52 1 6 -1 93 354.235 7

Activity (Go SEA)

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

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