UCSF

ZINC10511939

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2007 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) 2.13 -3.23 -55.95 1 9 -1 131 422.435 10
Hi High (pH 8-9.5) 2.13 -2.78 -132.29 0 9 -2 133 421.427 10

Activity (Go SEA)

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

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