UCSF

ZINC62965653

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 20 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) 1.26 5.18 -42.22 4 5 1 63 275.376 2
Hi High (pH 8-9.5) 1.26 2.78 -7.07 3 5 0 62 274.368 2
Lo Low (pH 4.5-6) 1.26 5.08 -110.38 5 5 2 64 276.384 2

Activity (Go SEA)

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

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