UCSF

ZINC65578823

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2011 24 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) 2.80 3.3 -12.56 2 6 0 84 334.278 4
Hi High (pH 8-9.5) 3.26 1.48 -50.12 1 6 -1 88 333.27 4

Activity (Go SEA)

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

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