UCSF

ZINC08792106

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2007 33 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) 5.35 -1.3 -19.99 1 6 0 72 439.515 4
Lo Low (pH 4.5-6) 5.35 -1.13 -51 2 6 1 73 440.523 4

Activity (Go SEA)

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

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