UCSF

ZINC65329527

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 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) -0.56 2.67 -52.23 2 8 1 85 334.4 4
Hi High (pH 8-9.5) -0.56 0.29 -21.55 1 8 0 84 333.392 4

Activity (Go SEA)

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