UCSF

ZINC09560771

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2007 20 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) 2.80 -6.9 -11.84 2 6 0 92 375.225 3
Hi High (pH 8-9.5) 2.80 -6.32 -33.66 1 6 -1 94 374.217 3
Hi High (pH 8-9.5) 3.26 -0.99 -96.75 0 6 -2 97 373.209 3

Activity (Go SEA)

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

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