UCSF

ZINC04170432

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 29 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) 4.00 11.43 -23.12 1 6 0 73 381.439 2
Lo Low (pH 4.5-6) 4.00 11.88 -28.74 2 6 1 75 382.447 2

Activity (Go SEA)

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

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