UCSF

ZINC09560770

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2007 30 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) 2.65 -2.64 -24.76 2 9 0 123 429.454 6
Hi High (pH 8-9.5) 2.65 -2.12 -54.17 1 9 -1 125 428.446 6

Activity (Go SEA)

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

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