UCSF

ZINC49556849

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 17 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) 1.64 3.41 -58.44 1 6 -1 102 275.331 3
Hi High (pH 8-9.5) 0.71 2.86 -111.08 0 6 -2 101 274.323 4

Activity (Go SEA)

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