UCSF

ZINC69778423

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 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) 4.74 9.21 -12.42 1 4 0 55 437.215 2
Hi High (pH 8-9.5) 4.74 9.99 -50.14 0 4 -1 58 436.207 2

Activity (Go SEA)

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

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