UCSF

ZINC62535861

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 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) 0.46 8.09 -46.21 3 4 0 73 268.316 4
Hi High (pH 8-9.5) 0.46 7.78 -49.75 2 4 -1 71 267.308 4

Activity (Go SEA)

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

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