UCSF

ZINC62588310

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 35 No

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) 2.76 7.92 -16.62 2 10 0 123 479.489 7
Mid Mid (pH 6-8) 2.94 6.28 -52.62 1 10 -1 130 478.481 7

Activity (Go SEA)

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

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