UCSF

ZINC69627452

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2011 24 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) -0.03 3.52 -43.95 2 7 1 66 339.46 6
Hi High (pH 8-9.5) -0.03 1.16 -15.46 1 7 0 65 338.452 6

Activity (Go SEA)

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