UCSF

ZINC21991857

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 21 Yes

CAS Number: 136470-78-5

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) 2.73 9.59 -10.42 3 6 0 82 284.367 4
Lo Low (pH 4.5-6) 2.73 9.84 -28.58 4 6 1 83 285.375 4

Activity (Go SEA)

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

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