UCSF

ZINC49753843

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 20 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) 1.24 0.37 -42.02 3 6 1 84 298.75 7
Hi High (pH 8-9.5) 1.24 -1.91 -12.53 2 6 0 83 297.742 7

Activity (Go SEA)

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