UCSF

ZINC23281972

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 18 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) 1.95 3.95 -29.54 3 3 1 45 276.759 6
Hi High (pH 8-9.5) 1.95 1.59 -6.93 2 3 0 44 275.751 6

Activity (Go SEA)

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