UCSF

ZINC62875829

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 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) 1.10 8.62 -46.43 1 5 0 65 282.384 3
Hi High (pH 8-9.5) 1.10 6.82 -47.53 0 5 -1 64 281.376 3

Activity (Go SEA)

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

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