UCSF

ZINC09560716

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2007 25 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) 0.53 -4.78 -19.24 2 10 0 127 365.371 5
Hi High (pH 8-9.5) 0.53 -4.24 -39.55 1 10 -1 130 364.363 5

Activity (Go SEA)

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

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